SCHEMBL5159327

SCHEMBL5159327

Cc1ccc(S(=O)(=O)[O-])cc1.Cc1sc2ccc3ccccc3c2[n+]1C

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 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HKDC1 Q2TB90 1/20 0.40
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5178713 0.88 KDM4E (0.37) KDM4EMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL4120155 0.84 MAPT (0.48) KDM4EMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL31623888 0.84 KDM4E (0.56) KDM4EMAPTALDH1A1PKMHPGD
SCHEMBL5166670 0.80 HKDC1 (0.40) KDM4EMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL5159332 0.78 RAD52 (0.38) KDM4EMAPTALDH1A1PKMHKDC1
SCHEMBL316151 0.77 ALDH1A1 (0.57) KDM4EMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL316437 0.77 KDM4E (0.41) KDM4EMAPTSMN1; SMN2ALDH1A1PKM
SCHEMBL8390117 0.76 INSR (0.48) KDM4EMAPTSMN1; SMN2HKDC1HTT
SCHEMBL4149006 0.75 KDM4E (0.42) KDM4EMAPTSMN1; SMN2ALDH1A1HKDC1
SCHEMBL8861452 0.74 KDM4E (0.37) KDM4EMAPTSMN1; SMN2ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 — — EP claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 — — EP claimed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 — — EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 — — EP claimed
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 — — EP claimed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 — — EP claimed
EP-1239817-B1 USE OF METHYLCHINOLINIUM COMPOUNDS FOR DYEING KERATIN CONTAINING FIBERS HENKEL KGAA (DE) 2006-04-19 — — EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 — — EP claimed
EP-1433785-A1 Agents for the coloration of keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 — — EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP claimed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP claimed
EP-1199065-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-24 — — EP claimed
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 — — WO claimed
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 — — EP disclosed
EP-1235549-B1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KGAA (DE) 2006-11-29 — — EP disclosed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 — — EP disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP disclosed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 — — EP disclosed
EP-1199065-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-24 — — EP disclosed
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