SCHEMBL9831087

SCHEMBL9831087

CC(=O)CNC1(c2ccc(O)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
GPR55 Q9Y2T6 2/20 0.37
PKM P14618 2/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.34
NOX1 Q9Y5S8 3/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP14 P50281 1/20 0.33
MAOA P21397 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL9828818 0.87 BCHE (0.41) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL9828953 0.84 CNR1 (0.42) CNR1GPR55PKMMAPTALDH1A1
SCHEMBL9829068 0.78 MEN1 (0.33) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL9831579 0.77 NQO2 (0.41) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL9829070 0.75 PDE3B (0.36) MAPT
SCHEMBL9830460 0.74 CNR1 (0.44) CNR1GPR55PKMMAPTALDH1A1
SCHEMBL10669282 0.74 CNR1 (0.44) CNR1GPR55PKMMAPTALDH1A1
SCHEMBL9831997 0.74 BCHE (0.44) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL9830507 0.73 NQO2 (0.39) PKMMAPTALDH1A1MEN1KMT2A
SCHEMBL9831187 0.73 CNR1 (0.43) CNR1GPR55PKMMAPTALDH1A1

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-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed