SCHEMBL4946209

SCHEMBL4946209

COc1ccc(Cn2c(C(=O)O)c(I)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
CCR2 P41597 1/20 0.44

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
SCHEMBL4948035 0.88 MAPT (0.52) PLA2G2APIK3R1PIK3CA
SCHEMBL4946256 0.78 PIK3R1 (0.37) PLA2G2APIK3R1PIK3CA
SCHEMBL4946246 0.78 PIK3R1 (0.37) PLA2G2APIK3R1PIK3CA
SCHEMBL4946248 0.78 PIK3R1 (0.37) PLA2G2APIK3R1PIK3CA
SCHEMBL6306900 0.78 CCR2 (0.71) CCR2
SCHEMBL13993110 0.75 PLA2G2A (0.37) PLA2G2APIK3R1PIK3CA
SCHEMBL1996313 0.72 ALDH1A1 (0.52) PLA2G2ACCR2
SCHEMBL30965369 0.71 AR (0.42) PLA2G2A
SCHEMBL1163283 0.70 CNR2 (0.56) PIK3R1PIK3CA
SCHEMBL3652866 0.70 PIK3R1 (0.50) PIK3R1PIK3CA

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-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-B1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives NERVIANO MEDICAL SCIENCES SRL (IT) 2017-08-09 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed
EP-2003129-A1 1H-Pyrido[3,4-B]indol-1-one and 2,3,4,9-Tetrahydro-1H-Beta-Carbolin-1-one Derivatives Nerviano Medical Sciences S.r.l. (IT) 2008-12-17 EP disclosed