SCHEMBL8553361

SCHEMBL8553361

C=Cc1cc(OC)cc([N+](=O)[O-])c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TPMT P51580 1/20 0.41
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL17113788 0.85 MAPT (0.54) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL9657631 0.82 MAPT (0.56) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL16953181 0.79 BACE1 (0.52) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL226001 0.79 ALDH1A1 (0.51) MAPTMAPK1KDM4ECYP19A1ALDH1A1
SCHEMBL28928501 0.78 ALDH1A1 (0.46) CYP19A1ALDH1A1CYP3A4ALOX15SMN1; SMN2
SCHEMBL5038570 0.76 MAPT (0.54) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL15872024 0.76 MAPK1 (0.50) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL8552969 0.75 TDP1 (0.47) MAPTKMT2AMEN1MAPK1NPSR1
SCHEMBL4069709 0.75 TPMT (0.64) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL9138248 0.75 MAPT (0.57) MAPTKMT2AMEN1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP disclosed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP disclosed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 WO disclosed