SCHEMBL9501130

SCHEMBL9501130

COC(=O)C(CO)NC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.57
HIF1A Q16665 1/20 0.43
FABP5 Q01469 3/20 0.42
FABP4 P15090 3/20 0.41
ERAP1 Q9NZ08 1/20 0.40
KAT6A Q92794 1/20 0.40
AXL P30530 2/20 0.39
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
IDH2 P48735 1/20 0.39

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
SCHEMBL9368611 0.91 SLC22A12 (0.55) SLC22A12HIF1AFABP5FABP4ERAP1
SCHEMBL9364384 0.91 SLC22A12 (0.58) SLC22A12FABP5FABP4ERAP1KAT6A
SCHEMBL9499726 0.85 SLC22A12 (0.56) SLC22A12HIF1AFABP5FABP4ERAP1
SCHEMBL9500642 0.84 MEN1 (0.44) SLC22A12KAT6AMEN1ALDH1A1KMT2A
SCHEMBL9363377 0.83 SLC22A12 (0.56) SLC22A12FABP5FABP4ERAP1KAT6A
SCHEMBL9499366 0.82 SLC22A12 (0.53) SLC22A12HIF1AFABP5FABP4AXL
SCHEMBL9367198 0.82 SLC22A12 (0.60) SLC22A12FABP5FABP4KAT6AMEN1
SCHEMBL9500825 0.79 SLC22A12 (0.45) SLC22A12FABP5ERAP1IDH2
SCHEMBL9363833 0.79 SLC22A12 (0.56) SLC22A12FABP5FABP4KAT6AMEN1
SCHEMBL9501420 0.79 SLC22A12 (0.56) SLC22A12HIF1AFABP5FABP4KAT6A

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-5210290-A NMR diagnostic aid SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-11 US disclosed