SCHEMBL9130507

SCHEMBL9130507

NC(=O)COc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 8/20 0.68
TBXA2R P21731 3/20 0.62
TBXAS1 P24557 1/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.54
PPARG P37231 2/20 0.53
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PRMT1 Q99873 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
SCHEMBL8840163 0.89 TBXA2R (0.79) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9127040 0.88 TBXA2R (0.81) SGMS1TBXA2RTBXAS1ALDH1A1HTT
SCHEMBL23294744 0.88 TBXA2R (0.73) SGMS1TBXA2RTBXAS1ALDH1A1HTT
SCHEMBL9127508 0.86 F2 (0.68) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9127591 0.84 SGMS1 (0.76) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9129860 0.84 TSHR (0.65) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9127709 0.83 MEN1 (0.70) TBXA2RTBXAS1MEN1KMT2AALDH1A1
SCHEMBL9126335 0.83 TBXA2R (0.78) TBXA2RMEN1KMT2AALDH1A1PPARG
SCHEMBL9128585 0.83 SGMS1 (0.62) SGMS1TBXA2RTBXAS1MEN1KMT2A
SCHEMBL9301142 0.83 SGMS1 (0.62) SGMS1TBXA2RTBXAS1MEN1KMT2A

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
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP claimed
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