SCHEMBL6602289

SCHEMBL6602289

NC(=O)n1ccc(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.42
SCN9A Q15858 3/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CAPN1 P07384 2/20 0.34
MGLL Q99685 2/20 0.33
SRC P12931 1/20 0.33
POLB P06746 1/20 0.32
NOS1 P29475 1/20 0.32
HCRTR2 O43614 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6604572 0.93 SCN4A (0.40) SCN4ASCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL6607433 0.93 SCN4A (0.40) SCN4ASCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL27157370 0.83 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6995869 0.76 KMO (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29488003 0.74 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29845195 0.73 NPC1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL31708787 0.71 SCN4A (0.43) SCN4ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4106091 0.70
SCHEMBL6049125 0.70
SCHEMBL29845226 0.69 NPC1 (0.35) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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 4 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
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 disclosed
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 disclosed