SCHEMBL11267010

SCHEMBL11267010

O=C(O)Cc1ccc2nc3ccccc3c(=O)n2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.55
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 6/20 0.54
GAA P10253 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GLA P06280 2/20 0.54
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
CASP1 P29466 2/20 0.51
CASP7 P55210 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.51
TBXAS1 P24557 1/20 0.47
PTAFR P25105 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
AKR1B1 P15121 2/20 0.46
HDAC6 Q9UBN7 1/20 0.43
USP2 O75604 1/20 0.42
PDE4B Q07343 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
SCHEMBL11276381 0.83 MEN1 (0.59) CTDSP1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL11276307 0.82 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2HPGD
SCHEMBL11263329 0.80 ALPG (0.58) CTDSP1KDM4EALDH1A1GAAGLA
SCHEMBL11269694 0.79 ALPG (0.69) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL11245977 0.78 AKR1B1 (0.71) CTDSP1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL11089921 0.76 PTAFR (0.46) CTDSP1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL28678221 0.75 KDM4E (0.61) CTDSP1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL28351868 0.75 KDM4E (0.61) CTDSP1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL28883171 0.75 KDM4E (0.61) CTDSP1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL28352180 0.75 ALDH1A1 (0.61) CTDSP1KDM4EALDH1A1GAASMN1; SMN2

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