SCHEMBL9002175

SCHEMBL9002175

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

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.60
TBXAS1 P24557 20/20 0.60

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
SCHEMBL9002195 1.00 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL9002183 1.00 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL9002148 0.94 TBXAS1 (0.61) TBXA2RTBXAS1
SCHEMBL9002115 0.94 TBXAS1 (0.61) TBXA2RTBXAS1
SCHEMBL9002127 0.94 TBXAS1 (0.61) TBXA2RTBXAS1
SCHEMBL9002325 0.92 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL9002334 0.92 TBXA2R (0.60) TBXA2RTBXAS1
SCHEMBL9002193 0.91 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002226 0.91 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002204 0.91 TBXA2R (0.72) 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