SCHEMBL7826971

SCHEMBL7826971

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1cccc(C)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
CYP19A1 P11511 7/20 0.42
SLC5A1 P13866 4/20 0.42
SLC5A2 P31639 4/20 0.42
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
UCHL1 P09936 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38

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
SCHEMBL7815445 0.88 SLC5A1 (0.50) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL7815550 0.86 SLC5A1 (0.47) CYP19A1SLC5A1SLC5A2POLBRXFP1
SCHEMBL7825482 0.86 HPGD (0.44) HPGDPOLBRXFP1MAPTL3MBTL1
SCHEMBL7827659 0.85 SLC5A1 (0.43) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL8073296 0.84 SLC5A1 (0.44) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL7828627 0.83 SLC5A1 (0.44) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL7826196 0.83 SLC5A1 (0.43) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL5515342 0.83 SLC5A1 (0.45) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL7831857 0.83 SLC5A1 (0.43) HPGDCYP19A1SLC5A1SLC5A2POLB
SCHEMBL7827504 0.81 HPGD (0.50) HPGDCYP19A1POLBRXFP1SMN1; SMN2

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed