SCHEMBL9311

SCHEMBL9311

O=c1c(-c2ccccc2)c(CCBr)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.56
CA2 P00918 5/20 0.56
MAPT P10636 2/20 0.52
PLA2G2A P14555 1/20 0.46
PLA2G4A P47712 1/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP3A4 P08684 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
PGAM1 P18669 1/20 0.46
MAOA P21397 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CA12 O43570 2/20 0.45
TP53 P04637 2/20 0.45
ABCB1 P08183 2/20 0.45
AR P10275 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
SCHEMBL9595 0.91 CA1 (0.54) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL12724 0.90 MAPK14 (0.53) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL8665 0.88 CA1 (0.59) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL8472 0.85 GABRP (0.50) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL15527966 0.85 CA1 (0.56) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL8612 0.85 CA1 (0.56) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL8648 0.85 TNKS (0.50) CA1CA2MAPTADORA3KMT2A
SCHEMBL8102 0.85 MAPK14 (0.42) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL15528187 0.82 CA1 (0.54) CA1CA2MAPTPLA2G2APLA2G4A
SCHEMBL9012 0.82 MAPK14 (0.51) CA1CA2MAPTMAPK14PTPN1

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-2496567-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2012-09-12 EP claimed
WO-2011055215-A2 NOVEL KINASE MODULATORS INCOZEN THERAPEUTICS PVT. LTD. (IN) 2011-05-12 WO claimed
CN-100436439-C Dimeric isoflavones NOVOGEN RES PTY LTD (AU) 2008-11-26 CN disclosed
CN-1505618-A Dimeric isoflavones ŵ�ָ��о��ɷ����޹�˾ 2004-06-16 CN disclosed