SCHEMBL9829616

SCHEMBL9829616

COC1(c2ccc(OC(C)=O)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ELANE P08246 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9829469 0.84 CNR1 (0.41) CYP2C19CYP2C9MAPTALDH1A1PKM
SCHEMBL9831997 0.81 BCHE (0.44) BCHEMAPTNPSR1ALDH1A1PKM
SCHEMBL9828823 0.81 BCHE (0.42) BCHEMAPTNPSR1ALDH1A1PKM
SCHEMBL9828818 0.77 BCHE (0.41) BCHEMAPTNPSR1ALDH1A1PKM
SCHEMBL9830720 0.74 MEN1 (0.45) BCHECYP2C19CYP2C9MAPTNPSR1
SCHEMBL11929623 0.73 MAPT (0.56) BCHECYP2C19MAPTNPSR1ALDH1A1
SCHEMBL11929218 0.70 MAPT (0.41) BCHEMAPTNPSR1ALDH1A1PKM
SCHEMBL9830517 0.69 KDM4E (0.37) BCHEMAPTNPSR1ALDH1A1PKM
SCHEMBL7993447 0.68 CYP2C19 (0.48) CYP2C19CYP2C9ALDH1A1NPC1RAB9A
SCHEMBL10990789 0.67 NOX1 (0.63) BCHEMAPTALDH1A1KDM4ENPC1

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