SCHEMBL9002545

SCHEMBL9002545

N#CN=C(NCCc1ccccc1)Nc1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.70
TBXAS1 P24557 20/20 0.70

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
SCHEMBL9002552 1.00 TBXA2R (0.70) TBXA2RTBXAS1
SCHEMBL9002541 1.00 TBXA2R (0.70) TBXA2RTBXAS1
SCHEMBL9002133 0.92 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002143 0.92 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002161 0.92 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002896 0.90 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002910 0.90 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002888 0.90 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002167 0.89 TBXA2R (0.69) TBXA2RTBXAS1
SCHEMBL9002139 0.89 TBXA2R (0.69) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482948-A Pyridyl derivatives and pharmaceutical compositions comprising these compounds DR. KARL THOMAE GMBH (DE) 1996-01-09 US disclosed