SCHEMBL14699088

SCHEMBL14699088

Nc1sc(-c2ccccc2)c(C(=O)O)c1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
GAA P10253 4/20 0.64
MAPT P10636 4/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 2/20 0.64
GRM6 O15303 7/20 0.58
GRM5 P41594 1/20 0.55
HPGD P15428 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 5/20 0.45
MDM2 Q00987 5/20 0.45
IKBKB O14920 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL31276918 0.86 KMT2A (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7957161 0.84 GRM6 (0.77) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL10713203 0.80 ALDH1A1 (0.71) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11658595 0.77 GRM6 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL20665498 0.77 GRM6 (0.62) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL4099130 0.75 GRM6 (0.74) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL222220 0.73 ALDH1A1 (0.44) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1800171 0.73 ALDH1A1 (0.68) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL31277288 0.73 KMT2A (0.44) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1929543 0.73 GRM6 (0.70) ALDH1A1GAAMAPTMEN1KMT2A

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
WO-2013023285-A1 AZOMETHINE COMPOUNDS VALORISATION-RECHERCHE, LIMITED PARTNERSHIP (CA) 2013-02-21 WO disclosed