SCHEMBL9130476

SCHEMBL9130476

NCCOc1ccc(CCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.68
TBXAS1 P24557 1/20 0.68
ALDH1A1 P00352 6/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
POLB P06746 1/20 0.59
PRMT1 Q99873 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SGMS1 Q86VZ5 2/20 0.55
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL9128700 0.87 MEN1 (0.65) TBXA2RTBXAS1ALDH1A1POLBPRMT1
SCHEMBL12676129 0.83 TBXA2R (0.71) TBXA2RTBXAS1ALDH1A1CA1CA2
SCHEMBL9127040 0.82 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1CA1CA2
Sulotroban SCHEMBL34187 0.81 TBXA2R (1.00) TBXA2RTBXAS1ALDH1A1CA1CA2
SCHEMBL9130180 0.80 MEN1 (0.62) TBXA2RTBXAS1ALDH1A1PRMT1SMN1; SMN2
SCHEMBL11332922 0.79 TBXA2R (0.81) TBXA2RTBXAS1ALDH1A1CA1CA2
SCHEMBL412302 0.79 ALDH1A1 (0.79) TBXA2RTBXAS1ALDH1A1CA1CA2
SCHEMBL9127531 0.78 LTA4H (0.59) TBXA2RTBXAS1ALDH1A1CA1CA2
SCHEMBL6804085 0.78 PRMT1 (0.88) TBXA2RTBXAS1ALDH1A1CA1CA2
Sulotroban SCHEMBL9585833 0.78 TBXA2R (0.79) TBXA2RTBXAS1ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed