SCHEMBL4946246

SCHEMBL4946246

COc1ccc(Cn2c(C(=O)N(C/C=C/C(=O)O)Cc3ccc(OC)cc3OC)c(I)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PLA2G2A P14555 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PLA2G4A P47712 1/20 0.34
LTB4R Q15722 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4946248 1.00 PIK3R1 (0.37) PIK3R1PIK3CAPLA2G2AALDH1A1MAPT
SCHEMBL4946256 1.00 PIK3R1 (0.37) PIK3R1PIK3CAPLA2G2AALDH1A1MAPT
SCHEMBL13993110 0.94 PLA2G2A (0.37) PIK3R1PIK3CAPLA2G2AALDH1A1MAPT
SCHEMBL4946209 0.78 PLA2G2A (0.47) PIK3R1PIK3CAPLA2G2A
SCHEMBL4948035 0.73 MAPT (0.52) PIK3R1PIK3CAPLA2G2AMAPT
SCHEMBL4949031 0.67 PIK3R1 (0.48) PIK3R1PIK3CAPLA2G2AALDH1A1MAPT
SCHEMBL4949024 0.67 PIK3R1 (0.48) PIK3R1PIK3CAPLA2G2AALDH1A1MAPT
SCHEMBL13993109 0.65 PIK3R1 (0.47) PIK3R1PIK3CAPLA2G2AALDH1A1MAPT
SCHEMBL28561012 0.64 LMNA (0.43) ALDH1A1MAPTKDM4EGAAMEN1
SCHEMBL6306900 0.62 CCR2 (0.71)

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
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