SCHEMBL9128409

SCHEMBL9128409

O=C(COc1ccccc1)Nc1ccc(CCNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SGMS1 Q86VZ5 10/20 0.83
TBXA2R P21731 1/20 0.72
TBXAS1 P24557 1/20 0.72
LMNA P02545 2/20 0.69
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 1/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59

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
SCHEMBL9128396 0.95 SGMS1 (0.91) SGMS1TBXA2RTBXAS1LMNAALDH1A1
SCHEMBL19392282 0.85 SGMS1 (0.71) SGMS1LMNAALDH1A1SMN1; SMN2POLB
Sulotroban SCHEMBL34187 0.84 TBXA2R (1.00) SGMS1TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL9127040 0.81 TBXA2R (0.81) SGMS1TBXA2RTBXAS1ALDH1A1POLB
SCHEMBL11332922 0.81 TBXA2R (0.81) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL4832368 0.81 POLB (0.67) SGMS1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL9512082 0.81 TBXA2R (0.76) SGMS1TBXA2RTBXAS1LMNAALDH1A1
Sulotroban SCHEMBL9585833 0.81 TBXA2R (0.79) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9850373 0.80 TBXA2R (0.69) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2
SCHEMBL9850614 0.80 TBXA2R (0.69) SGMS1TBXA2RTBXAS1ALDH1A1SMN1; SMN2

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 2 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
US-4258058-A Phenoxyalkylcarboxylic acid compounds and thrombocyte-aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1981-03-24 US disclosed