SCHEMBL4149006

SCHEMBL4149006

CC[n+]1csc2ccc3ccccc3c21.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ MAPT P10636 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ CTNNB1 P35222 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5166670 0.84 HKDC1 (0.40) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL22052967 0.83 ALDH1A1 (0.43) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4149008 0.80 GLO1 (0.34) KDM4EMEN1KMT2AHKDC1HSP90AA1
SCHEMBL4120155 0.79 MAPT (0.48) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9004667 0.78 KDM4E (0.42) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5159327 0.75 KDM4E (0.42) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5178713 0.71 KDM4E (0.37) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7257101 0.71 KDM4E (0.40) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8007151 0.70 MAPT (0.44) KDM4EMAPTMEN1KMT2ASMN1; SMN2
1-Ethylquinolonium SCHEMBL11069884 0.70 KDM4E (0.50) KDM4EMAPTMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO claimed
WO-2009007307-A1 SELF-TANNING COMPOSITIONS WITH NATURAL TANNING EFFECT HENKEL AG & CO. KGAA (DE) 2009-01-15 — — WO disclosed
EP-1684871-A1 AGENTS FOR REDUCING SCALP COLORING DURING HAIR COLORING PROCESSES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-08-02 — — EP disclosed
WO-2005027861-A1 AGENTS FOR REDUCING SCALP COLORING DURING HAIR COLORING PROCESSES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-31 — — WO disclosed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 — — EP disclosed
EP-1432394-A1 AGENT FOR COLORING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP disclosed
EP-1311231-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-21 — — EP disclosed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO disclosed
WO-2003030846-A1 AGENT FOR COLORING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO disclosed
EP-1200049-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 — — EP disclosed
WO-2001097754-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN, CONTAINING AT LEAST ONE QUINOXALINE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 — — WO disclosed
WO-2001097762-A1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-12-27 — — WO disclosed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 — — WO disclosed
WO-2001047485-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 — — WO disclosed
WO-2001047483-A1 USE OF METHYLCHINOLINIUM COMPOUNDS FOR DYEING KERATIN CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-07-05 — — WO disclosed
WO-2001030312-A1 MEANS FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-03 — — WO disclosed
WO-2001010398-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 — — WO disclosed
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