SCHEMBL7817355

SCHEMBL7817355

CCOC(=O)c1c(C(=O)c2ccc(C=O)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.41
HPGD P15428 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKR1C3 P42330 4/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 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
SCHEMBL7822742 0.90 SMN1; SMN2 (0.43) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7830785 0.87 UCHL1 (0.46) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7815891 0.87 HPGD (0.47) UCHL1HPGDPOLBRXFP1MAPT
SCHEMBL8067007 0.87 KMT2A (0.45) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7817289 0.87 UCHL1 (0.41) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL5513825 0.86 UCHL1 (0.45) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7816440 0.86 UCHL1 (0.40) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7816327 0.85 UCHL1 (0.44) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7824695 0.85 UCHL1 (0.44) UCHL1HPGDKMT2AMEN1HSD17B10
SCHEMBL7816556 0.84 LMNA (0.44) HPGDKMT2AMEN1HSD17B10ALDH1A1

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