SCHEMBL18320765

SCHEMBL18320765

Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)nc2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 5/20 0.76
SLC2A3 P11169 4/20 0.76
SLC2A2 P11168 3/20 0.76
ALDH1A1 P00352 6/20 0.65
HSD17B10 Q99714 4/20 0.65
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
POLB P06746 3/20 0.65
BRCA1 P38398 2/20 0.65
RECQL P46063 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
SLC2A4 P14672 3/20 0.60
KDM4E B2RXH2 3/20 0.58
MAPK1 P28482 2/20 0.58
MAPT P10636 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
SCD O00767 1/20 0.58
SCD5 Q86SK9 1/20 0.58
CTDSP1 Q9GZU7 2/20 0.57

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
SCHEMBL18320705 0.88 SLC2A1 (0.76) SLC2A1SLC2A3SLC2A2KMT2ATDP1
SCHEMBL18320805 0.86 SLC2A1 (1.00) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL16832934 0.85 SLC2A1 (0.81) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL16832205 0.84 SLC2A1 (0.78) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL16834042 0.84 SLC2A1 (0.78) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL16832354 0.83 SLC2A1 (0.77) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL18320586 0.83 SLC2A1 (0.68) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL16833339 0.83 SLC2A1 (0.76) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL16832438 0.82 SLC2A1 (0.72) SLC2A1SLC2A3SLC2A2ALDH1A1HSD17B10
SCHEMBL18321237 0.82 SLC2A1 (0.67) SLC2A1SLC2A3SLC2A2SLC2A4TP53

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
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO claimed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed