SCHEMBL6615243

SCHEMBL6615243

CCCNC(=O)n1nc(-c2cc(NC(=O)c3ccc(C)cc3)ccc2O)cc1C1CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ KDM3A Q9Y4C1 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
SCHEMBL6614797 0.92 RAB9A (0.38) NAMPTNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL6619787 0.90 MAPK14 (0.41) MAPK14NAMPTPOLBNPC1RAB9A
SCHEMBL6617307 0.90 CRACR2A (0.44) NAMPTPOLBKDM6BKDM5AKDM4D
SCHEMBL6618475 0.90 RAB9A (0.42) MAPK14NAMPTPOLBNPC1RAB9A
SCHEMBL6608341 0.88 POLB (0.44) MAPK14NAMPTPOLBNPC1RAB9A
SCHEMBL6618882 0.87 ALDH1A1 (0.40) MAPK14POLBNPC1RAB9AALDH1A1
SCHEMBL6619183 0.87 NAMPT (0.40) MAPK14NAMPTPOLBNPC1RAB9A
SCHEMBL6620772 0.86 MEN1 (0.40) MAPK14NAMPTNPC1RAB9AMAPT
SCHEMBL6614784 0.86 POLB (0.41) MAPK14POLBALDH1A1MAPTP2RY14
SCHEMBL6623103 0.86 MAPK14 (0.40) MAPK14NAMPTPOLBNPC1RAB9A

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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