SCHEMBL7827410

SCHEMBL7827410

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1c(C)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
DCTPP1 Q9H773 1/20 0.43
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
AKR1C3 P42330 7/20 0.41
UCHL1 P09936 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7828209 0.93 DCTPP1 (0.43) CYP19A1DCTPP1SLC5A1SLC5A2SMN1; SMN2
SCHEMBL7828589 0.90 DCTPP1 (0.45) DCTPP1AKR1C3POLBMAPTALOX15
SCHEMBL7831187 0.88 CYP19A1 (0.47) CYP19A1DCTPP1SLC5A1SLC5A2SMN1; SMN2
SCHEMBL7827167 0.86 DCTPP1 (0.45) DCTPP1SMN1; SMN2AKR1C3ALDH1A1ALOX15
SCHEMBL7827504 0.86 HPGD (0.50) CYP19A1SMN1; SMN2AKR1C3UCHL1POLB
SCHEMBL7831313 0.86 SMN1; SMN2 (0.45) CYP19A1SLC5A1SLC5A2SMN1; SMN2UCHL1
SCHEMBL7817398 0.83 MAPT (0.43) CYP19A1SLC5A1SLC5A2SMN1; SMN2UCHL1
SCHEMBL5511589 0.83 MAPT (0.44) CYP19A1SLC5A1SLC5A2SMN1; SMN2UCHL1
SCHEMBL7816184 0.83 CYP19A1 (0.44) CYP19A1SMN1; SMN2UCHL1POLBMAPT
SCHEMBL7823456 0.82 SMN1; SMN2 (0.44) CYP19A1SMN1; SMN2UCHL1POLBMAPT

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