SCHEMBL11265853

SCHEMBL11265853

CCc1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.60
AKR1B1 P15121 1/20 0.54
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.46
CYP1A2 P05177 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTAFR P25105 5/20 0.44
TBXAS1 P24557 5/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 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
SCHEMBL11275840 0.90 ALPG (0.61) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11263778 0.88 ALPG (0.58) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11269862 0.83 ALPG (0.64) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11276137 0.83 ALPG (0.67) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11261079 0.81 ALPG (0.61) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11005250 0.80 ALPG (0.60) ALPGAKR1B1PTAFRTBXAS1
SCHEMBL11276470 0.80 ALPG (0.63) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11275156 0.80 ALPG (0.60) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11009173 0.78 ALPG (0.71) ALPGAKR1B1ALDH1A1KDM4EHPGD
SCHEMBL11270447 0.77 ALPG (0.77) ALPGAKR1B1ALDH1A1KDM4EHPGD

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