SCHEMBL9831997

SCHEMBL9831997

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.44
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
KIF11 P52732 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 1/20 0.37
ELANE P08246 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.88 BCHE (0.41) BCHEMAPTALDH1A1HSP90AA1GAA
SCHEMBL9828953 0.83 CNR1 (0.42) BCHEMAPTALDH1A1GAAPKM
SCHEMBL9829616 0.81 BCHE (0.44) BCHEMAPTALDH1A1HSP90AA1GAA
SCHEMBL9828823 0.79 BCHE (0.42) BCHEMAPTALDH1A1HSP90AA1GAA
SCHEMBL9831087 0.74 CNR1 (0.37) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL9831078 0.73 MEN1 (0.44) BCHEMAPTALDH1A1GAANPSR1
SCHEMBL11929623 0.73 MAPT (0.56) BCHEMAPTALDH1A1HSP90AA1GAA
SCHEMBL9830507 0.72 NQO2 (0.39) BCHEMAPTALDH1A1NPSR1PKM
SCHEMBL11929218 0.70 MAPT (0.41) BCHEMAPTALDH1A1HSP90AA1GAA
SCHEMBL10990789 0.67 NOX1 (0.63) BCHEMAPTALDH1A1MEN1KMT2A

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