SCHEMBL6616798

SCHEMBL6616798

Cc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccno4)ccc3O)cc2C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.44
▸ MAPK14 Q16539 1/20 0.42
▸ ACKR3 P25106 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ F10 P00742 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ F2RL1 P55085 2/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ ROCK2 O75116 1/20 0.34

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
SCHEMBL6615529 0.95 MAPK14 (0.41) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6615668 0.91 KDM4C (0.49) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6615628 0.88 KDM4C (0.44) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6616130 0.87 ASAH1 (0.38) KDM4CKMT2AMEN1NPC1RAB9A
SCHEMBL6615451 0.87 MAPK14 (0.43) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6616464 0.86 KDM4C (0.42) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6618968 0.86 CRACR2A (0.42) ACKR3NPC1RAB9AHTTCRACR2A
SCHEMBL6602944 0.85 KDM4C (0.48) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6677022 0.85 NAMPT (0.45) ACKR3KMT2AMEN1NPC1RAB9A
SCHEMBL6616425 0.85 NAMPT (0.40) MAPK14ACKR3KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
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