SCHEMBL6614591

SCHEMBL6614591

Cc1ccc(C(=O)Nc2ccc(-c3cc(C4CCCC4)n(C(=O)NCc4ccccc4F)n3)c(O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.42
▸ NAMPT P43490 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CRACR2A Q9BSW2 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL6651951 0.94 P2RY14 (0.41) P2RY14NAMPTMAPTSMN1; SMN2HDAC1
SCHEMBL6619665 0.92 P2RY14 (0.41) P2RY14NAMPTMAPTPOLBROCK2
SCHEMBL6616371 0.91 ACKR3 (0.43) P2RY14MAPTSMN1; SMN2L3MBTL1POLB
SCHEMBL6624191 0.90 CRACR2A (0.46) NAMPTMAPTSMN1; SMN2HDAC1ROCK2
SCHEMBL6615869 0.89 NAMPT (0.41) NAMPTMAPTSMN1; SMN2HDAC1ROCK2
SCHEMBL6619833 0.89 TRPV1 (0.43) NAMPT
SCHEMBL6651075 0.89 KMT2A (0.39) NAMPTPOLBKDM4ETP53
SCHEMBL6613507 0.88 MAPT (0.42) P2RY14NAMPTMAPTSMN1; SMN2L3MBTL1
SCHEMBL6616947 0.87 SSTR3 (0.43) P2RY14NAMPTMAPTPOLB
SCHEMBL6615537 0.87 LMNA (0.45) P2RY14NAMPTMAPTHDAC1POLB

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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