SCHEMBL11270745

SCHEMBL11270745

CSc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.67
AKR1B1 P15121 1/20 0.60
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PTAFR P25105 6/20 0.42
TBXAS1 P24557 5/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL11277337 0.87 ALPG (0.63) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11009173 0.83 ALPG (0.71) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11279166 0.82 AKR1B1 (0.51) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11007275 0.82 AKR1B1 (0.82) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11279272 0.81 ALPG (0.45) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11276137 0.81 ALPG (0.67) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11005221 0.81 AKR1B1 (0.68) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11009207 0.80 ALPG (0.67) ALPGAKR1B1PTAFRTBXAS1
SCHEMBL11002651 0.80 ALPG (1.00) ALPGAKR1B1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL11272525 0.79 ALPG (0.98) ALPGAKR1B1KDM4EALDH1A1HPGD

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