SCHEMBL4724636

SCHEMBL4724636

N[C@@H](CO)C(=O)N(C(=O)Cc1cc(F)cc(F)c1)C1C(=O)Nc2ccccc2OC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 1/20 0.36
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
ALOX15 P16050 1/20 0.31
PARP1 P09874 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
THRB P10828 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3344181 1.00 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3341438 0.91 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3342801 0.90 HSD17B10 (0.38) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3343190 0.84 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1ALOX15
SCHEMBL3342838 0.84 HSD17B10 (0.39) HSD17B10ALDH1A1TP53MAPK1ALOX15
SCHEMBL5645863 0.83 HSD17B10 (0.36) HSD17B10ALDH1A1TP53MAPK1ALOX15
SCHEMBL3342821 0.82 TP53 (0.43) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3346668 0.80 MC4R (0.37) HSD17B10ALDH1A1TP53ALOX15MAPT
SCHEMBL3343838 0.77 HSD17B10 (0.37) HSD17B10ALDH1A1TP53MAPK1IDO1
SCHEMBL3344114 0.76 TP53 (0.35) HSD17B10ALDH1A1TP53MAPK1PARP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996202-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007104933-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed