SCHEMBL7825905

SCHEMBL7825905

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1cc(OCOC)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 4/20 0.41
SLC5A2 P31639 4/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
MITF O75030 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
CYP19A1 P11511 3/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNMA1 Q12791 1/20 0.36

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
SCHEMBL7816052 0.94 SLC5A1 (0.41) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7823176 0.93 MAOB (0.41) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7831857 0.90 SLC5A1 (0.43) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL8057419 0.90 SLC5A1 (0.40) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7827659 0.88 SLC5A1 (0.43) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7817162 0.87 UCHL1 (0.39) POLBRXFP1HSD17B10MEN1KMT2A
SCHEMBL5515342 0.87 SLC5A1 (0.45) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7815445 0.87 SLC5A1 (0.50) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7828627 0.85 SLC5A1 (0.44) SLC5A1SLC5A2POLBRXFP1HSD17B10
SCHEMBL7826196 0.85 SLC5A1 (0.43) SLC5A1SLC5A2POLBRXFP1HSD17B10

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