SCHEMBL9002127

SCHEMBL9002127

COC(=O)CCC/C=C(/c1cccnc1)c1cccc(NC(=NC#N)NCC(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 20/20 0.61
TBXA2R P21731 19/20 0.61

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
SCHEMBL9002148 1.00 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9002115 1.00 TBXAS1 (0.61) TBXAS1TBXA2R
SCHEMBL9002183 0.94 TBXA2R (0.60) TBXAS1TBXA2R
SCHEMBL9002325 0.94 TBXA2R (0.60) TBXAS1TBXA2R
SCHEMBL9002334 0.94 TBXA2R (0.60) TBXAS1TBXA2R
SCHEMBL9002175 0.94 TBXA2R (0.60) TBXAS1TBXA2R
SCHEMBL9002195 0.94 TBXA2R (0.60) TBXAS1TBXA2R
SCHEMBL9002193 0.92 TBXA2R (0.72) TBXAS1TBXA2R
SCHEMBL9002226 0.92 TBXA2R (0.72) TBXAS1TBXA2R
SCHEMBL9002204 0.92 TBXA2R (0.72) TBXAS1TBXA2R

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