SCHEMBL4625872

SCHEMBL4625872

CN1c2ccccc2SC1c1ccc(C=O)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ GSK3B P49841 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ DPP4 P27487 1/20 0.30

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
SCHEMBL3731249 0.75 ALOX5 (0.35) KDM4EHPGDMAOAALDH1A1SMN1; SMN2
SCHEMBL3743379 0.71 DRD2 (0.39) KDM4EHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL4015059 0.71 ALDH1A1 (0.35) KDM4EHPGDMAPTPOLBGAA
SCHEMBL27516784 0.71 MAOA (0.41) MAOAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12193903 0.71 MAOA (0.41) KDM4EHPGDMAOAALDH1A1SMN1; SMN2
SCHEMBL30986852 0.71 MAOA (0.41) KDM4EHPGDMAOAALDH1A1SMN1; SMN2
SCHEMBL4626754 0.70 KDM4E (0.46) KDM4EHPGDPOLBMAOAALDH1A1
SCHEMBL12264201 0.69 MAOA (0.46) MAOAALDH1A1SMN1; SMN2RAB9AGSK3B
SCHEMBL28758480 0.69 KDM4E (0.41) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL11886360 0.67 MAOA (0.37) KDM4EHPGDGAAMAOAALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 — — EP claimed
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 — — EP claimed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 — — EP claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 — — WO claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 — — US disclosed
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