SCHEMBL18320562

SCHEMBL18320562

Cc1nn(Cc2ccc(C#N)cc2)c(C)c1NC(=O)c1cc(-c2cncc(C#N)c2)nc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 20/20 0.71
SLC2A3 P11169 19/20 0.71
SLC2A4 P14672 18/20 0.71
SLC2A2 P11168 11/20 0.60
ADORA3 P0DMS8 1/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
PTGER4 P35408 1/20 0.48

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
SCHEMBL18320794 0.93 SLC2A1 (0.72) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18320675 0.92 SLC2A1 (0.83) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320724 0.90 SLC2A1 (0.71) SLC2A1SLC2A3SLC2A4SLC2A2
SCHEMBL18320989 0.90 SLC2A1 (0.69) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18320977 0.90 SLC2A1 (0.66) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18320547 0.90 SLC2A1 (0.74) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18320734 0.89 SLC2A1 (0.73) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18321238 0.89 SLC2A1 (0.73) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18320858 0.89 SLC2A1 (0.73) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3
SCHEMBL18320820 0.88 SLC2A1 (0.68) SLC2A1SLC2A3SLC2A4SLC2A2ADORA3

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