SCHEMBL6623103

SCHEMBL6623103

Cc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CCC4)n(C(=O)NCc4ccccc4C)n3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.40
▸ P2RY14 Q15391 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 3/20 0.37
▸ BCHE P06276 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL6619665 0.94 P2RY14 (0.41) MAPK14P2RY14POLBMAPTBCHE
SCHEMBL6619118 0.93 TAOK1 (0.40) MAPK14POLBMAPTTP53NAMPT
SCHEMBL6651951 0.92 P2RY14 (0.41) MAPK14P2RY14POLBMAPTBCHE
SCHEMBL6660284 0.92 ACKR3 (0.42) MAPK14P2RY14POLBMAPTTP53
SCHEMBL6603910 0.92 NAMPT (0.42) MAPK14POLBNAMPTEPHX2CRACR2A
SCHEMBL6608341 0.91 POLB (0.44) MAPK14P2RY14POLBMAPTNAMPT
SCHEMBL6619787 0.90 MAPK14 (0.41) MAPK14P2RY14POLBMAPTNAMPT
SCHEMBL6620539 0.88 NPC1 (0.44) POLBMAPTTP53NAMPTNPC1
SCHEMBL6619186 0.88 MEN1 (0.38) MAPK14POLBMAPTBCHEEPHX2
SCHEMBL6617441 0.88 RAF1 (0.45) —

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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