SCHEMBL6615958

SCHEMBL6615958

CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccno3)ccc2O)cc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.49
▸ MAPK14 Q16539 1/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CCNE1 P24864 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ NAMPT P43490 4/20 0.35
▸ KDM6B O15054 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ HIF1AN Q9NWT6 1/20 0.35
▸ KDM5B Q9UGL1 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ KDM3A Q9Y4C1 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ BACE1 P56817 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
SCHEMBL6615018 0.87 NPC1 (0.43) MAPK14KMT2AMEN1RAB9A
SCHEMBL6617028 0.87 KDM4C (0.42) KDM4CMAPK14HTR2AKMT2AMEN1
SCHEMBL6618662 0.85 KMT2A (0.38) KMT2AMEN1NAMPTRAB9A
SCHEMBL6614689 0.83 MAPK14 (0.44) KDM4CMAPK14HTR2AKMT2AMEN1
SCHEMBL6604492 0.83 CRACR2A (0.39) KMT2AMEN1NAMPTRAB9ACRACR2A
SCHEMBL6615668 0.83 KDM4C (0.49) KDM4CMAPK14HTR2AKMT2AMEN1
SCHEMBL6616697 0.82 KMT2A (0.44) KMT2AMEN1RAB9A
SCHEMBL6621197 0.82 KDM5A (0.41) KDM4CKMT2AMEN1HTTNAMPT
SCHEMBL6617646 0.82 KDM4C (0.49) KDM4CMAPK14HTR2AKMT2AMEN1
SCHEMBL6618457 0.82 MAPK14 (0.43) KDM4CMAPK14HTR2AKMT2AMEN1

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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