SCHEMBL11216490

SCHEMBL11216490

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.54
TBXAS1 P24557 12/20 0.51
PTAFR P25105 9/20 0.51

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
SCHEMBL11210046 0.84 ALPG (0.57) ALPGTBXAS1PTAFR
SCHEMBL11208277 0.84 ALPG (0.74) ALPGTBXAS1PTAFR
SCHEMBL11219291 0.84 TBXAS1 (0.43) ALPGTBXAS1PTAFR
SCHEMBL10767837 0.83 AKR1B1 (0.55) ALPGTBXAS1PTAFR
SCHEMBL11203945 0.82 ALPG (0.54) ALPGTBXAS1PTAFR
SCHEMBL11009207 0.82 ALPG (0.67) ALPGTBXAS1PTAFR
SCHEMBL11270196 0.79 PTAFR (0.55) TBXAS1PTAFR
SCHEMBL11008704 0.78 PTAFR (0.54) ALPGTBXAS1PTAFR
SCHEMBL11005250 0.77 ALPG (0.60) ALPGTBXAS1PTAFR
SCHEMBL11273433 0.76 ALPG (0.68) ALPGTBXAS1PTAFR

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
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 EP disclosed