SCHEMBL7817325

SCHEMBL7817325

COc1ccc(Cn2nnc(C(=O)O)c2C(=O)c2cccc(C)c2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.45
PDE8B O95263 1/20 0.45
AKR1C3 P42330 9/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
THRB P10828 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL7836319 0.92 ALOX15 (0.48) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7823949 0.87 ALOX15 (0.49) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7827714 0.87 ALOX15 (0.51) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7823265 0.86 ALOX15 (0.48) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7831794 0.85 HPGD (0.52) ALOX15L3MBTL1HPGDAKR1C3POLB
SCHEMBL7828246 0.84 POLB (0.49) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7824116 0.84 ALOX15 (0.48) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7824859 0.82 ALOX15 (0.48) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7830372 0.80 ALOX15 (0.47) ALOX15L3MBTL1MEN1KMT2AHPGD
SCHEMBL7833159 0.80 ALOX15 (0.48) ALOX15L3MBTL1MEN1KMT2AHPGD

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 3 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-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