SCHEMBL11210046

SCHEMBL11210046

Cc1ccc2nc3ccc(OC(=O)O)cn3c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.57
TBXAS1 P24557 3/20 0.46
PTAFR P25105 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
CASP1 P29466 3/20 0.44
CASP7 P55210 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
AKR1B1 P15121 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11208277 0.88 ALPG (0.74) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL11203945 0.88 ALPG (0.54) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL10767837 0.86 AKR1B1 (0.55) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL11216490 0.84 ALPG (0.54) ALPGTBXAS1PTAFR
SCHEMBL28659590 0.82 SMN1; SMN2 (0.51) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL11009173 0.81 ALPG (0.71) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL11002512 0.79 ALPG (0.58) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL11175621 0.78 ALPG (0.46) ALPGSMN1; SMN2ALDH1A1KDM4ECASP1
SCHEMBL13923498 0.78 ALPG (0.71) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1
SCHEMBL11087151 0.78 SMN1; SMN2 (0.47) ALPGTBXAS1PTAFRSMN1; SMN2ALDH1A1

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
EP-0094080-A2 Pyrido(2,1-b)quinazoline derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-16 EP disclosed