SCHEMBL7824701

SCHEMBL7824701

COc1ccc(Cn2nnc(C(=O)c3ccc(C)cc3N)c2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PDE8B O95263 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
THRB P10828 1/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.42
AKR1C3 P42330 4/20 0.42
PSMD14 O00487 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7824859 0.92 ALOX15 (0.48) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7815561 0.89 POLB (0.46) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7826820 0.89 ALOX15 (0.49) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7827319 0.87 ALOX15 (0.48) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7826483 0.87 ALOX15 (0.46) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL5519388 0.87 POLB (0.52) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7816139 0.87 ALOX15 (0.51) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7826316 0.87 ALOX15 (0.46) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7826896 0.86 POLB (0.49) ALOX15L3MBTL1POLBMAPTMEN1
SCHEMBL7831300 0.85 SMN1; SMN2 (0.48) ALOX15L3MBTL1POLBMAPTMEN1

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