SCHEMBL7828627

SCHEMBL7828627

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1cc(OC)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.44
SLC5A2 P31639 4/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40
CYP19A1 P11511 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL5515342 0.95 SLC5A1 (0.45) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL7827659 0.94 SLC5A1 (0.43) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL8057419 0.93 SLC5A1 (0.40) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL8069350 0.91 SLC5A1 (0.44) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL5516696 0.91 SLC5A1 (0.44) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL8067119 0.90 SLC5A1 (0.43) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL7831857 0.88 SLC5A1 (0.43) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL7826196 0.88 SLC5A1 (0.43) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL8071924 0.87 CYP19A1 (0.48) SLC5A1SLC5A2POLBMAPTALDH1A1
SCHEMBL7827679 0.87 UCHL1 (0.40) SLC5A1SLC5A2POLBMAPTALDH1A1

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed