SCHEMBL3421180

SCHEMBL3421180

Cc1ccc(CC(=O)Nc2cc[nH]n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
RAB9A P51151 3/20 0.57
GAPDH P04406 1/20 0.57
NPC1 O15118 1/20 0.57
GAA P10253 1/20 0.50
CACNA1H O95180 4/20 0.49
CACNA1G O43497 2/20 0.49
CACNA1I Q9P0X4 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPK10 P53779 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NLRP3 Q96P20 1/20 0.47
WNT3A P56704 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 2/20 0.45

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
SCHEMBL3424677 0.85 GAA (0.57) SMN1; SMN2RAB9ANPC1GAACACNA1H
SCHEMBL3418702 0.84 CDK2 (0.57) SMN1; SMN2RAB9ANPC1CACNA1GCACNA1I
SCHEMBL3431712 0.83 L3MBTL1 (0.61) SMN1; SMN2RAB9ANPC1CACNA1HCACNA1G
SCHEMBL22311484 0.80 CCNE1 (0.48) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22311486 0.79 WNT3A (0.49) SMN1; SMN2ALDH1A1MAPK10L3MBTL1WNT3A
SCHEMBL30519019 0.78 CCNE1 (0.53) SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL22311475 0.78 CCNE1 (0.53) SMN1; SMN2NPC1MEN1KMT2A
SCHEMBL3423175 0.77 CCNB2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1MAPK10
SCHEMBL30519180 0.77 CCNE1 (0.56) SMN1; SMN2ALDH1A1MAPK10L3MBTL1
SCHEMBL4421326 0.77 LMNA (0.42) RAB9AGAAKMT2APOLBALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP disclosed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO disclosed