SCHEMBL11277337

SCHEMBL11277337

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.63
AKR1B1 P15121 1/20 0.57
PTAFR P25105 7/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
TBXAS1 P24557 9/20 0.45
LMNA P02545 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL11270745 0.87 ALPG (0.67) ALPGAKR1B1PTAFRKDM4EALDH1A1
SCHEMBL11276552 0.83 ALPG (0.42) ALPGAKR1B1PTAFRKDM4EALDH1A1
SCHEMBL11009207 0.82 ALPG (0.67) ALPGAKR1B1PTAFRTBXAS1
SCHEMBL11009173 0.80 ALPG (0.71) ALPGAKR1B1PTAFRKDM4EALDH1A1
SCHEMBL11271455 0.80 ALPG (0.78) ALPGAKR1B1PTAFRKDM4EALDH1A1
SCHEMBL11076242 0.80 ALPG (0.64) ALPGAKR1B1PTAFRTBXAS1
SCHEMBL11007275 0.79 AKR1B1 (0.82) ALPGAKR1B1PTAFRKDM4EALDH1A1
SCHEMBL11429362 0.79 ALPG (0.65) ALPGAKR1B1PTAFRTBXAS1RXFP1
SCHEMBL11005221 0.78 AKR1B1 (0.68) ALPGAKR1B1PTAFRKDM4EALDH1A1
SCHEMBL11276137 0.78 ALPG (0.67) ALPGAKR1B1PTAFRKDM4EALDH1A1

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