SCHEMBL11279129

SCHEMBL11279129

COc1ccc2nc3ccc(C(C)=O)cn3c(=O)c2c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.84
TBXAS1 P24557 5/20 0.56
PTAFR P25105 4/20 0.56
AKR1B1 P15121 1/20 0.50
KDM4E B2RXH2 6/20 0.48
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.41

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
SCHEMBL11002651 0.91 ALPG (1.00) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11263411 0.90 ALPG (0.98) ALPGTBXAS1PTAFRAKR1B1KDM4E
Hydrochloric Acid SCHEMBL11272525 0.90 ALPG (0.98) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11263399 0.90 ALPG (0.98) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11263888 0.89 ALPG (0.82) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11005652 0.89 ALPG (0.82) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11276166 0.89 ALPG (0.82) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11263403 0.88 ALPG (0.80) ALPGTBXAS1PTAFRAKR1B1KDM4E
Hydrochloric Acid SCHEMBL11263169 0.88 ALPG (0.80) ALPGTBXAS1PTAFRAKR1B1KDM4E
SCHEMBL11279191 0.87 ALPG (0.79) ALPGTBXAS1PTAFRAKR1B1KDM4E

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