SCHEMBL14288486

SCHEMBL14288486

CCC/C=C(\c1ccccc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.68
TBXA2R P21731 1/20 0.63

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
SCHEMBL9528079 0.91 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9528067 0.91 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL9530856 0.91 TBXAS1 (0.72) TBXAS1TBXA2R
SCHEMBL10618177 0.89 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL10617172 0.89 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL10617175 0.89 TBXAS1 (0.74) TBXAS1TBXA2R
SCHEMBL1226216 0.84 SIGMAR1 (0.49) TBXAS1TBXA2R
SCHEMBL21883054 0.82 TBXAS1 (0.50) TBXAS1
SCHEMBL8699447 0.81 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL8699446 0.81 TBXAS1 (0.68) 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-7320993-B1 Aryl-substituted pyridylalkane, alkene, and alkine carboxamides useful as cytostatic useful as cytostatic and immuosuppressive agents ASTELLAS DEUTSCHLAND GMBH (DE) 2008-01-22 US disclosed