SCHEMBL9002432

SCHEMBL9002432

CNC(=NC#N)Nc1cccc(C(=CCCCC(=O)O)c2cccnc2)c1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 20/20 0.75
TBXAS1 P24557 20/20 0.75

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
SCHEMBL9002419 1.00 TBXA2R (0.75) TBXA2RTBXAS1
SCHEMBL9002413 1.00 TBXA2R (0.75) TBXA2RTBXAS1
SCHEMBL9002091 0.91 TBXA2R (0.74) TBXA2RTBXAS1
SCHEMBL9002117 0.91 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002079 0.91 TBXA2R (0.74) TBXA2RTBXAS1
Terbogrel SCHEMBL7537036 0.91 TBXA2R (0.75) TBXA2RTBXAS1
Terbogrel SCHEMBL29383187 0.91 TBXA2R (0.75) TBXA2RTBXAS1
Terbogrel SCHEMBL7537032 0.91 TBXA2R (0.75) TBXA2RTBXAS1
SCHEMBL9002165 0.91 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9002132 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