SCHEMBL7958504

SCHEMBL7958504

O=C(O)COc1cccc2c1ccn2CCNS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MCL1 Q07820 3/20 0.51
TBXA2R P21731 2/20 0.48
TBXAS1 P24557 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
CYP24A1 Q07973 2/20 0.45
HTR6 P50406 7/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
BCHE P06276 2/20 0.43
BAD Q92934 1/20 0.41

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
SCHEMBL7948851 0.92 CYP24A1 (0.53) ALDH1A1MCL1TBXA2RTBXAS1CYP24A1
SCHEMBL7957937 0.86 MCL1 (0.50) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7956866 0.83 MCL1 (0.48) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7956741 0.79 MCL1 (0.52) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7959506 0.79 MCL1 (0.60) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7960155 0.78 MCL1 (0.59) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7959220 0.74 MCL1 (0.59) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7956906 0.74 MCL1 (0.59) ALDH1A1MCL1TBXA2RTDP1PPARG
SCHEMBL7959081 0.73 MCL1 (0.53) ALDH1A1MCL1TDP1HTR6PPARG
SCHEMBL7948387 0.73 MCL1 (0.55) ALDH1A1MCL1TDP1HTR6PPARG

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
US-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed