SCHEMBL7826896

SCHEMBL7826896

COc1ccc(Cn2nnc(C(=O)c3cc(OC)c(C)cc3N)c2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE8B O95263 1/20 0.46
HSD17B10 Q99714 6/20 0.45
HPGD P15428 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
RECQL P46063 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
AKR1C3 P42330 6/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
PLA2G1B P04054 1/20 0.42
GAA P10253 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42

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
SCHEMBL5519388 0.93 POLB (0.52) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7826820 0.93 ALOX15 (0.49) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7828246 0.92 POLB (0.49) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7824701 0.86 ALOX15 (0.48) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7827135 0.86 POLB (0.43) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7823949 0.85 ALOX15 (0.49) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7816139 0.85 ALOX15 (0.51) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7836319 0.84 ALOX15 (0.48) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7826600 0.83 ALOX15 (0.47) POLBMAPTALOX15L3MBTL1PDE8B
SCHEMBL7833159 0.82 ALOX15 (0.48) POLBMAPTALOX15L3MBTL1PDE8B

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