SCHEMBL9828736

SCHEMBL9828736

COc1ccc(O)c(C2(SC)Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ADAMTS5 Q9UNA0 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
NQO2 P16083 1/20 0.36
BCHE P06276 4/20 0.35

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
SCHEMBL10675785 0.84 MEN1 (0.46) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9830720 0.83 MEN1 (0.45) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9830860 0.83 MEN1 (0.45) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9831078 0.82 MEN1 (0.44) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9829551 0.82 PTPN1 (0.35) ADAMTS5ALDH1A1MAPTRAB9ATSHR
SCHEMBL9830732 0.80 ADAMTS5 (0.36) MEN1KMT2AADAMTS5ALDH1A1KDM4E
SCHEMBL9831349 0.80 ADAMTS5 (0.34) MEN1KMT2AADAMTS5ALDH1A1KDM4E
SCHEMBL9830684 0.79 MEN1 (0.40) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9831592 0.78 MEN1 (0.41) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9832228 0.78 ADAMTS5 (0.32) GAAADAMTS5ALDH1A1MAPTRAB9A

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