SCHEMBL10460469

SCHEMBL10460469

CCC(=O)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.66
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
PRMT1 Q99873 2/20 0.60
AKR1C3 P42330 1/20 0.57
PPARG P37231 3/20 0.56
ALDH1A1 P00352 3/20 0.55
LSS P48449 1/20 0.53
TBXAS1 P24557 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL10697737 0.90 TBXA2R (0.63) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9130060 0.85 TBXA2R (0.75) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9659280 0.85 TBXA2R (0.70) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9754552 0.84 MEN1 (0.84) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9718429 0.84 TBXA2R (0.59) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10461761 0.84 TBXA2R (0.56) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL9661347 0.84 TBXA2R (0.62) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL2411710 0.83 PRMT1 (0.68) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10463575 0.83 ALDH1A1 (0.61) TBXA2RMEN1KMT2APRMT1AKR1C3
SCHEMBL10462267 0.83 TBXA2R (0.67) TBXA2RMEN1KMT2APRMT1AKR1C3

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
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed