SCHEMBL7822920

SCHEMBL7822920

COc1ccc(Cn2nnc(C(=O)c3ccccc3N(C)C(=O)OCc3ccccc3)c2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.42
PTGER4 P35408 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
KDM1A O60341 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL7828177 0.82 AKR1C3 (0.47) AKR1C3PTGER4ALDH1A1ALOX15L3MBTL1
SCHEMBL7816139 0.79 ALOX15 (0.51) AKR1C3PTGER4ALDH1A1HTTALOX15
SCHEMBL7829626 0.78 AKR1C3 (0.49) AKR1C3PTGER4ALDH1A1HTTALOX15
SCHEMBL7816497 0.76 AKR1C3 (0.49) AKR1C3PTGER4ALDH1A1HTTALOX15
SCHEMBL7828179 0.76 AKR1C3 (0.53) AKR1C3PTGER4ALDH1A1HTTKMT2A
SCHEMBL7815954 0.76 HPGD (0.50) AKR1C3PTGER4ALDH1A1HTTALOX15
SCHEMBL7826600 0.75 ALOX15 (0.47) AKR1C3ALDH1A1ALOX15L3MBTL1CYP1A2
SCHEMBL7836319 0.75 ALOX15 (0.48) AKR1C3PTGER4ALDH1A1ALOX15L3MBTL1
SCHEMBL7824961 0.74 CYP19A1 (0.46) AKR1C3ALDH1A1CYP1A2SMN1; SMN2LMNA
SCHEMBL5519388 0.74 POLB (0.52) AKR1C3ALDH1A1ALOX15L3MBTL1CYP1A2

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