SCHEMBL4330265

SCHEMBL4330265

Oc1ccc(-c2ccc(OCc3cccc(Cl)c3Cl)nn2)c(Br)c1Br

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CNR2 P34972 3/20 0.33
PNMT P11086 1/20 0.31
CARM1 Q86X55 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
MCL1 Q07820 1/20 0.30
P2RX7 Q99572 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
SCHEMBL3240159 0.78 IDO1 (0.38) IDO1ALOX5APFEN1PDCD1CD274
SCHEMBL3232764 0.67 P2RX7 (0.37) IDO1PNMTP2RX7
SCHEMBL4566690 0.65 IDO1 (0.35) IDO1ALOX5APFEN1PNMT
SCHEMBL3235983 0.64 IDO1 (0.37) IDO1ALOX5APFEN1PNMTCARM1
SCHEMBL995345 0.62 IDO1 (0.69) IDO1PNMTCARM1KDM4EP2RX7
SCHEMBL3245397 0.61 IDO1 (0.39) IDO1ALOX5APFEN1PNMTCARM1
SCHEMBL547586 0.59 IDO1 (0.69) IDO1PNMTCARM1KDM4E
SCHEMBL5085295 0.58 CNR2 (0.54) IDO1CNR2P2RX7
SCHEMBL12877184 0.58 IDO1 (0.67) IDO1PNMTCARM1KDM4EP2RX7
SCHEMBL3302008 0.57 PNMT (0.68) IDO1PNMTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed