SCHEMBL7828659

SCHEMBL7828659

CCOC(=O)c1c(C(=O)c2ccc(CNCc3ccccc3)cc2N)nnn1Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.45
CYP19A1 P11511 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 3/20 0.42
ALDH1A1 P00352 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
SCHEMBL7827011 0.97 POLB (0.50) KDM4EPOLBUSP2RXFP1ALOX15
SCHEMBL7831227 0.91 POLB (0.46) KDM4EPOLBUSP2RXFP1ALOX15
SCHEMBL7831536 0.88 POLB (0.44) KDM4EPOLBUSP2RXFP1ALOX15
SCHEMBL7815561 0.86 POLB (0.46) KDM4EPOLBRXFP1ALOX15L3MBTL1
SCHEMBL7829087 0.86 POLB (0.48) KDM4EPOLBUSP2RXFP1ALOX15
SCHEMBL8071742 0.83 MEN1 (0.47) KDM4EPOLBRXFP1ALOX15L3MBTL1
SCHEMBL8068083 0.82 AKR1C3 (0.48) KDM4EPOLBRXFP1ALOX15L3MBTL1
SCHEMBL8057540 0.81 HSD17B10 (0.44) KDM4EPOLBUSP2RXFP1ALOX15
SCHEMBL8073852 0.81 CYP19A1 (0.51) KDM4EPOLBRXFP1ALOX15L3MBTL1
SCHEMBL8073462 0.80 MKNK2 (0.46) KDM4EPOLBRXFP1ALOX15L3MBTL1

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