SCHEMBL9754328

SCHEMBL9754328

O=C(O)CNC(=O)CSc1cccc(CCNS(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.62
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SGMS1 Q86VZ5 2/20 0.48
PRMT1 Q99873 2/20 0.48
AKR1C3 P42330 2/20 0.48
TBXAS1 P24557 3/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL9754213 0.90 TBXA2R (0.69) TBXA2RALDH1A1PRMT1AKR1C3TBXAS1
SCHEMBL9754248 0.84 TBXA2R (0.57) TBXA2RALDH1A1SGMS1PRMT1AKR1C3
SCHEMBL9754254 0.83 TBXA2R (0.56) TBXA2RALDH1A1SGMS1PRMT1AKR1C3
SCHEMBL9754344 0.83 TBXA2R (0.58) TBXA2RALDH1A1SGMS1PRMT1AKR1C3
SCHEMBL9754342 0.82 TBXA2R (0.64) TBXA2RALDH1A1SGMS1PRMT1AKR1C3
SCHEMBL9850482 0.80 SGMS1 (0.66) TBXA2RSGMS1TBXAS1
SCHEMBL9754244 0.79 TBXA2R (0.61) TBXA2RALDH1A1SGMS1PRMT1AKR1C3
SCHEMBL14327858 0.77 TBXA2R (1.00) TBXA2RALDH1A1TBXAS1
SCHEMBL15078819 0.77 TBXA2R (0.81) TBXA2RALDH1A1PRMT1AKR1C3TBXAS1
SCHEMBL9131036 0.76 TBXA2R (0.82) TBXA2RALDH1A1PRMT1AKR1C3TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991013868-A1 PHENYLTHIOALKYLCARBOXYLIC ACID DERIVATIVES, METHOD FOR PREPARING THEM AND DRUGS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1991-09-19 WO disclosed