SCHEMBL18320586

SCHEMBL18320586

Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccsc2)nc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 11/20 0.68
SLC2A3 P11169 10/20 0.62
SLC2A4 P14672 8/20 0.62
SLC2A2 P11168 4/20 0.59
TP53 P04637 2/20 0.50
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
BRCA1 P38398 1/20 0.49
RECQL P46063 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.48
KDM4E B2RXH2 1/20 0.48
TACR3 P29371 1/20 0.48
GAA P10253 1/20 0.47

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 0.91 SLC2A1 (0.76) SLC2A1SLC2A3SLC2A4SLC2A2TP53
SCHEMBL18320621 0.90 SLC2A1 (0.66) SLC2A1SLC2A3SLC2A4SLC2A2KDM4E
SCHEMBL16834042 0.85 SLC2A1 (0.78) SLC2A1SLC2A3SLC2A4SLC2A2TP53
SCHEMBL18321237 0.85 SLC2A1 (0.67) SLC2A1SLC2A3SLC2A4SLC2A2TP53
SCHEMBL18320793 0.85 SLC2A1 (0.84) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL16832934 0.84 SLC2A1 (0.81) SLC2A1SLC2A3SLC2A4SLC2A2TP53
SCHEMBL18320673 0.84 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A4SLC2A2KMT2A
SCHEMBL18320819 0.84 SLC2A1 (0.66) SLC2A1SLC2A3SLC2A4SLC2A2TP53
SCHEMBL16832205 0.83 SLC2A1 (0.78) SLC2A1SLC2A3SLC2A4SLC2A2TP53
SCHEMBL16832354 0.83 SLC2A1 (0.77) SLC2A1SLC2A3SLC2A4SLC2A2TP53

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