SCHEMBL7825441

SCHEMBL7825441

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(O)c1ccc(NC(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.41
SNCA P37840 1/20 0.40
CYP19A1 P11511 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL8068001 0.90 ALDH1A1 (0.43) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7816147 0.89 PTGDR2 (0.42) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7826196 0.89 SLC5A1 (0.43) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL8057450 0.87 ALDH1A1 (0.42) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7823983 0.85 LMNA (0.45) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7831857 0.84 SLC5A1 (0.43) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7816556 0.84 LMNA (0.44) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7827659 0.83 SLC5A1 (0.43) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7816052 0.83 SLC5A1 (0.41) KMT2AMEN1HSD17B10HPGDALDH1A1
SCHEMBL7827608 0.83 SLC5A1 (0.41) KMT2AMEN1HSD17B10HPGDALDH1A1

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