SCHEMBL18320545

SCHEMBL18320545

COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(C#N)cc4)c3C)c3ccccc3n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 11/20 0.65
SLC2A3 P11169 10/20 0.65
SLC2A4 P14672 9/20 0.65
SLC2A2 P11168 4/20 0.58
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL18320980 0.92 SLC2A1 (0.70) SLC2A1SLC2A3SLC2A4SLC2A2LMNA
SCHEMBL18320989 0.91 SLC2A1 (0.69) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320780 0.91 SLC2A1 (0.79) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320820 0.91 SLC2A1 (0.68) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320796 0.91 SLC2A1 (0.68) SLC2A1SLC2A3SLC2A4SLC2A2MEN1
SCHEMBL18320949 0.90 SLC2A1 (0.64) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320799 0.89 SLC2A1 (0.72) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320824 0.89 SLC2A1 (0.66) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320982 0.89 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320568 0.88 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A4SLC2A2

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