SCHEMBL9831078

SCHEMBL9831078

CNC1(c2cc(OC)ccc2O)Sc2ccccc2N(C)C1=O

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 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 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
NQO2 P16083 1/20 0.39
LMNA P02545 1/20 0.38
SNCA P37840 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
SCHEMBL9831579 0.87 NQO2 (0.41) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL10675785 0.84 MEN1 (0.46) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9830720 0.83 MEN1 (0.45) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9830860 0.83 MEN1 (0.45) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9828736 0.82 MEN1 (0.44) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9831592 0.78 MEN1 (0.41) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9830684 0.75 MEN1 (0.40) MEN1KMT2AGAAADAMTS5ALDH1A1
SCHEMBL9830507 0.74 NQO2 (0.39) MEN1KMT2AADAMTS5ALDH1A1MAPT
SCHEMBL9828953 0.73 CNR1 (0.42) GAAADAMTS5ALDH1A1MAPTKDM4E
SCHEMBL9831997 0.73 BCHE (0.44) MEN1KMT2AGAAALDH1A1MAPT

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