SCHEMBL7815445

SCHEMBL7815445

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 5/20 0.50
SLC5A2 P31639 5/20 0.50
CYP19A1 P11511 4/20 0.46
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
DCTPP1 Q9H773 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 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
SCHEMBL7831857 0.90 SLC5A1 (0.43) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7826196 0.90 SLC5A1 (0.43) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7827659 0.89 SLC5A1 (0.43) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7815550 0.88 SLC5A1 (0.47) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7826971 0.88 HPGD (0.42) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL5515342 0.88 SLC5A1 (0.45) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7823176 0.88 MAOB (0.41) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7827608 0.87 SLC5A1 (0.41) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7816052 0.87 SLC5A1 (0.41) SLC5A1SLC5A2CYP19A1POLBRXFP1
SCHEMBL7825905 0.87 SLC5A1 (0.41) SLC5A1SLC5A2CYP19A1POLBRXFP1

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