SCHEMBL6615959

SCHEMBL6615959

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3ccc(C)cc3)cc2O)cc1C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 3/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NAMPT P43490 6/20 0.39
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK14 Q16539 1/20 0.37
▸ MCL1 Q07820 1/20 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
SCHEMBL6619183 0.93 NAMPT (0.40) P2RY14POLBALDH1A1MAPTNPC1
SCHEMBL6615259 0.88 MEN1 (0.40) MAPTNPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL6615819 0.86 NPSR1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6618615 0.85 AAK1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL6616391 0.85 TYK2 (0.40) NPC1RAB9ASMN1; SMN2ACKR3
SCHEMBL6617186 0.85 GCGR (0.44) NPC1RAB9ANAMPT
SCHEMBL6616031 0.84 RAB9A (0.40) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6613507 0.84 MAPT (0.42) P2RY14POLBALDH1A1MAPTNPC1
SCHEMBL6616599 0.84 KMT2A (0.43) NAMPTMEN1KMT2ALMNAGAA
SCHEMBL6604618 0.83 RAB9A (0.40) MAPTNPC1RAB9ASMN1; SMN2MEN1

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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