SCHEMBL11279166

SCHEMBL11279166

CSc1cc(SC)c2nc3ccc(C(=O)O)cn3c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.51
ALPG P10696 1/20 0.51
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CASP1 P29466 4/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
CASP7 P55210 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL11282033 0.83 ALPG (0.50) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11270745 0.82 ALPG (0.67) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11270912 0.72 AKR1B1 (0.51) AKR1B1ALPGPTAFR
SCHEMBL11277337 0.72 ALPG (0.63) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11275949 0.70 ALPG (0.57) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11009173 0.70 ALPG (0.71) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11005221 0.70 AKR1B1 (0.68) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL9459767 0.69 AKR1B1 (0.53) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11270498 0.69 ALPG (0.50) AKR1B1ALPGKDM4EALDH1A1CASP1
SCHEMBL11245977 0.69 AKR1B1 (0.71) AKR1B1ALPGKDM4EALDH1A1CASP1

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