SCHEMBL11269862

SCHEMBL11269862

Cc1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.64
AKR1B1 P15121 1/20 0.57
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 6/20 0.48
CASP1 P29466 4/20 0.48
CASP7 P55210 4/20 0.48
HSD17B10 Q99714 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
PTAFR P25105 3/20 0.48
TBXAS1 P24557 2/20 0.48
CYP1A2 P05177 1/20 0.47
GAA P10253 3/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL11009173 0.89 ALPG (0.71) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL28673639 0.87 ALPG (0.59) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11276137 0.86 ALPG (0.67) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL28659590 0.86 SMN1; SMN2 (0.51) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11275156 0.83 ALPG (0.60) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11005250 0.83 ALPG (0.60) ALPGAKR1B1PTAFRTBXAS1
SCHEMBL11265853 0.83 ALPG (0.60) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11547459 0.82 SMN1; SMN2 (0.47) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11002512 0.82 ALPG (0.58) ALPGAKR1B1KDM4EALDH1A1HPGD
SCHEMBL11275840 0.81 ALPG (0.61) 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