SCHEMBL3418472

SCHEMBL3418472

O=C(Nc1cc[nH]n1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CCNA1 P78396 1/20 0.55
KMT2A Q03164 5/20 0.51
NT5E P21589 1/20 0.51
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
F2 P00734 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
XDH P47989 1/20 0.48
DEGS1 O15121 1/20 0.48
KCNQ3 O43525 1/20 0.47

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
SCHEMBL7164136 0.85 RAB9A (0.53) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL7157005 0.85 NPC1 (0.51) KMT2ARAB9ANPC1MAPTF2
SCHEMBL3419889 0.85 HTT (0.45) RXFP1CCNA2CDK2CCNA1KMT2A
SCHEMBL3937976 0.85 CCNA2 (0.57) CCNA2CDK2CCNA1KMT2ARAB9A
SCHEMBL696662 0.84 KMT2A (0.58) CCNA2CDK2CCNA1KMT2ARAB9A
SCHEMBL3421073 0.83 NPC1 (0.63) CCNA2CDK2CCNA1KMT2ARAB9A
SCHEMBL3419853 0.83 GAA (0.55) KMT2ANT5ERAB9ATP53MAPK1
SCHEMBL3420311 0.82 NPC1 (0.59) KMT2ARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3421843 0.81 CACNA1B (0.55) KMT2ARAB9ANPC1MAPTTP53
SCHEMBL7163135 0.81 DEGS1 (0.52) RXFP1CCNA2CDK2CCNA1KMT2A

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