SCHEMBL11270196

SCHEMBL11270196

CC(C)c1ccc2nc3ccc(CO)cn3c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 11/20 0.55
TBXAS1 P24557 11/20 0.54

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
SCHEMBL11276552 0.82 ALPG (0.42) PTAFRTBXAS1
SCHEMBL11009207 0.81 ALPG (0.67) PTAFRTBXAS1
SCHEMBL11279272 0.81 ALPG (0.45) PTAFRTBXAS1
Hydrochloric Acid SCHEMBL11263594 0.80 ALPG (0.67) PTAFRTBXAS1
SCHEMBL11216490 0.79 ALPG (0.54) PTAFRTBXAS1
SCHEMBL11005250 0.77 ALPG (0.60) PTAFRTBXAS1
Benzoic Acid SCHEMBL11271905 0.77 ALPG (0.57) PTAFRTBXAS1
SCHEMBL11261027 0.76 PTAFR (0.46) PTAFRTBXAS1
SCHEMBL11008704 0.75 PTAFR (0.54) PTAFRTBXAS1
Benzoic Acid SCHEMBL11267397 0.74 ALPG (0.71) PTAFRTBXAS1

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-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed