SCHEMBL6615668

SCHEMBL6615668

O=C(Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCc3ccccc3)n2)c1)c1ccno1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 3/20 0.49
▸ MAPK14 Q16539 1/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ ACKR3 P25106 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ KCNJ6 P48051 1/20 0.35
▸ KCNJ5 P48544 1/20 0.35
▸ KCNJ3 P48549 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ RXFP2 Q8WXD0 1/20 0.34
▸ RXFP1 Q9HBX9 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
SCHEMBL6616464 0.95 KDM4C (0.42) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6602944 0.92 KDM4C (0.48) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6616798 0.91 KDM4C (0.44) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6615628 0.90 KDM4C (0.44) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6617873 0.88 MAPK14 (0.40) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6615451 0.87 MAPK14 (0.43) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6614939 0.87 KDM4C (0.41) KDM4CMAPK14HDAC1ACKR3HTR2A
SCHEMBL6615529 0.86 MAPK14 (0.41) KDM4CMAPK14ACKR3HTR2AKMT2A
SCHEMBL6618131 0.85 MAPT (0.45) MAPK14KMT2AMEN1HPGDMAPT
SCHEMBL6618817 0.85 MAPK14 (0.43) KDM4CMAPK14ACKR3HTR2AKMT2A

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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