SCHEMBL9832228

SCHEMBL9832228

CCOC(CCOc1ccc(OC)cc1C1(SC)Sc2ccccc2N(C)C1=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALOX15 P16050 1/20 0.30
SHMT2 P34897 1/20 0.30
NQO2 P16083 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9829551 0.86 PTPN1 (0.35) ADAMTS5MAPTPOLBALDH1A1TSHR
SCHEMBL9830732 0.84 ADAMTS5 (0.36) ADAMTS5MAPTPOLBCYP2C9CYP2C19
SCHEMBL9831349 0.84 ADAMTS5 (0.34) ADAMTS5MAPTPOLBALDH1A1TSHR
SCHEMBL9828736 0.78 MEN1 (0.44) ADAMTS5MAPTCYP2C19ALDH1A1TSHR
SCHEMBL9829147 0.78 SMPD1 (0.51)
Hydrochloric Acid SCHEMBL9832211 0.77 SMPD1 (0.50) ALOX15
Hydrochloric Acid SCHEMBL9829963 0.77 SMPD1 (0.34) MAPTCYP2C19ALDH1A1TSHRRAB9A
SCHEMBL9828526 0.76 SMPD1 (0.42)
Hydrochloric Acid SCHEMBL9831196 0.76 SMPD1 (0.49) ALOX15
Hydrochloric Acid SCHEMBL9831706 0.76 BCHE (0.35) MAPTRAB9ALMNA

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