SCHEMBL9660601

SCHEMBL9660601

O=C(O)Cc1ccc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.70
ALDH1A1 P00352 5/20 0.58
MAPT P10636 1/20 0.58
TBXAS1 P24557 2/20 0.53
MMP1 P03956 1/20 0.52
MEP1B Q16820 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TAAR1 Q96RJ0 1/20 0.51
RORC P51449 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL11106576 0.85 TBXA2R (0.75) TBXA2RALDH1A1MAPTMEP1BLMNA
SCHEMBL10447516 0.85 TAAR1 (0.70) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL11119146 0.83 TBXA2R (0.77) TBXA2RALDH1A1MAPTTBXAS1MEP1B
SCHEMBL10461554 0.83 TBXA2R (0.76) TBXA2RALDH1A1MAPTTBXAS1MEP1B
SCHEMBL2413993 0.83 HDAC6 (0.58) TBXA2RALDH1A1MAPTTBXAS1MMP1
SCHEMBL11108980 0.82 TBXA2R (0.75) TBXA2RALDH1A1MAPTTBXAS1MEP1B
SCHEMBL11104856 0.82 ALDH1A1 (0.77) TBXA2RALDH1A1MAPTTBXAS1MEP1B
SCHEMBL12676127 0.82 TBXA2R (0.75) TBXA2RALDH1A1MAPTTBXAS1MEP1B
Daltroban SCHEMBL309160 0.82 TBXA2R (1.00) TBXA2RALDH1A1MAPTTBXAS1MEP1B
SCHEMBL9661410 0.81 CYP19A1 (0.58) TBXA2RALDH1A1MAPTTBXAS1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US claimed
JP-2108677-A None JP disclosed
US-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US disclosed
US-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
JP-H02108677-A SULFONAMIDE CONTAINING TETRAZOLYL RADICAL AND REMEDY CONTAINING THE SAME FOR METABOLIC SYSTEM DISEASE BOEHRINGER MANNHEIM GMBH 1990-04-20 JP disclosed