SCHEMBL9659367

SCHEMBL9659367

O=S(=O)(NCCc1cccc(OCc2nnn[nH]2)c1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.59
PLG P00747 1/20 0.59
TBXA2R P21731 6/20 0.56
PRMT1 Q99873 1/20 0.45
TBXAS1 P24557 1/20 0.44
SGMS1 Q86VZ5 2/20 0.44
CYP19A1 P11511 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9659285 0.88 MEN1 (0.52) F2PLGTBXA2RPRMT1TBXAS1
SCHEMBL10446945 0.79 F2 (0.66) F2PLGTBXA2RPRMT1SGMS1
SCHEMBL9329278 0.78 F2 (0.62) F2PLGTBXA2RPRMT1TBXAS1
SCHEMBL9661128 0.78 MEN1 (0.57) TBXA2RPRMT1TBXAS1GAAMEN1
SCHEMBL9126951 0.77 F2 (0.69) F2PLGTBXA2RPRMT1TBXAS1
SCHEMBL9165745 0.77 F2 (0.63) F2PLGTBXA2RPRMT1TBXAS1
SCHEMBL9329719 0.77 TBXA2R (0.64) F2PLGTBXA2RPRMT1TBXAS1
SCHEMBL9331625 0.77 TBXA2R (0.59) F2PLGTBXA2RPRMT1TBXAS1
Hydrochloric Acid SCHEMBL9132077 0.76 F2 (0.68) F2PLGTBXA2RPRMT1TBXAS1
SCHEMBL9850678 0.76 F2 (0.64) F2PLGTBXA2RPRMT1TBXAS1

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-5173500-A Inhibiting thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1992-12-22 US claimed
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