SCHEMBL18320779

SCHEMBL18320779

Cc1c(N)nnn1Cc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.58
POLB P06746 2/20 0.48
GRM2 Q14416 1/20 0.46
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
DHFR P00374 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
MET P08581 1/20 0.43
TP53 P04637 2/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL18321080 0.86 NAMPT (0.46) SLC2A1POLBIDO1TDO2MEN1
SCHEMBL18321098 0.85 KDM4E (0.43) SLC2A1POLBTSHRHPGDLMNA
SCHEMBL18321067 0.83 JAK2 (0.51) SLC2A1POLBGRM2TDO2MEN1
SCHEMBL18321164 0.83 PDE8B (0.51) SLC2A1GRM2
SCHEMBL18321167 0.81 GRM2 (0.52) GRM2KMT2ALMNA
SCHEMBL18321343 0.81 PDE8B (0.53) POLBMEN1KMT2AMETRXFP1
Hydrochloric Acid SCHEMBL18321023 0.80 SLC2A1 (0.47) SLC2A1POLBGRM2IDO1TDO2
SCHEMBL2368116 0.80 KMT2A (0.42) POLBIDO1KMT2ATSHRGAA
SCHEMBL18321341 0.80 CYP19A1 (0.48) TSHR
SCHEMBL18320781 0.79 TP53 (0.47) TSHRTP53

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-2016202935-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed