SCHEMBL11276552

SCHEMBL11276552

CC(C)Sc1ccc2nc3ccc(CO)cn3c(=O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.42
PTAFR P25105 7/20 0.41
TBXAS1 P24557 10/20 0.41
CTDSP1 Q9GZU7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
AKR1B1 P15121 1/20 0.37

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
SCHEMBL11279272 0.87 ALPG (0.45) ALPGPTAFRTBXAS1CTDSP1KDM4E
SCHEMBL11277337 0.83 ALPG (0.63) ALPGPTAFRTBXAS1KDM4EALDH1A1
SCHEMBL11270196 0.82 PTAFR (0.55) PTAFRTBXAS1
Hydrochloric Acid SCHEMBL11263594 0.77 ALPG (0.67) ALPGPTAFRTBXAS1KDM4EMEN1
SCHEMBL11260665 0.75 ALPG (0.36) ALPGPTAFRTBXAS1KDM4EALDH1A1
Benzoic Acid SCHEMBL11271905 0.74 ALPG (0.57) ALPGPTAFRTBXAS1CTDSP1KDM4E
Benzoic Acid SCHEMBL11267397 0.71 ALPG (0.71) ALPGPTAFRTBXAS1CTDSP1KDM4E
SCHEMBL11265853 0.69 ALPG (0.60) ALPGPTAFRTBXAS1CTDSP1KDM4E
SCHEMBL11270745 0.69 ALPG (0.67) ALPGPTAFRTBXAS1CTDSP1KDM4E
SCHEMBL11083308 0.69 AKR1C3 (0.53) ALPGPTAFRTBXAS1

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