SCHEMBL6619118

SCHEMBL6619118

CCc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CCC4)n(C(=O)NCc4ccccc4C)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TAOK1 Q7L7X3 1/20 0.40
▸ TAOK3 Q9H2K8 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NAMPT P43490 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ THRB P10828 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MCHR1 Q99705 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ ADCY1 Q08828 1/20 0.35
▸ CRACR2A Q9BSW2 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
SCHEMBL6623103 0.93 MAPK14 (0.40) POLBNAMPTMAPK14MAPTNPC1
SCHEMBL6617061 0.92 TAOK1 (0.42) TAOK1TAOK3POLBNAMPTMAPK14
SCHEMBL6619769 0.91 LMNA (0.40) MAPK14MAPTNPC1RAB9ALMNA
SCHEMBL6603910 0.89 NAMPT (0.42) POLBNAMPTMAPK14LMNAKDM4E
SCHEMBL6616663 0.88 RAB9A (0.39) MAPTTHRBNPC1RAB9ALMNA
SCHEMBL6619186 0.88 MEN1 (0.38) POLBMAPK14MAPTNPC1RAB9A
SCHEMBL6619665 0.87 P2RY14 (0.41) POLBNAMPTMAPK14MAPTNPC1
SCHEMBL6614797 0.87 RAB9A (0.38) NAMPTMAPTTHRBNPC1RAB9A
SCHEMBL6616766 0.87 ADCY1 (0.41) MAPTTHRBNPC1RAB9ALMNA
SCHEMBL6621561 0.86 SMN1; SMN2 (0.40) POLBNAMPTMAPK14MAPTNPC1

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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