SCHEMBL9595

SCHEMBL9595

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
MAPT P10636 2/20 0.50
PTPN1 P18031 3/20 0.45
PLA2G2A P14555 1/20 0.44
PLA2G4A P47712 1/20 0.44
PPARG P37231 1/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CA12 O43570 2/20 0.43
TP53 P04637 2/20 0.43
ABCB1 P08183 2/20 0.43
AR P10275 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CA9 Q16790 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL9311 0.91 CA1 (0.56) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL9012 0.91 MAPK14 (0.51) CA1CA2MAPTPTPN1PPARG
SCHEMBL8310 0.86 GABRP (0.48) CA1CA2MAPTPTPN1PPARG
SCHEMBL15528187 0.86 CA1 (0.54) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL8665 0.85 CA1 (0.59) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL4613473 0.84 PPARG (0.60) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL15527966 0.82 CA1 (0.56) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL8612 0.82 CA1 (0.56) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL12724 0.82 MAPK14 (0.53) CA1CA2MAPTPTPN1PLA2G2A
SCHEMBL13726173 0.81 AR (0.44) CA1CA2MAPTPTPN1PPARG

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-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