SCHEMBL5313178

SCHEMBL5313178

O=C(Nc1ccccc1)c1ccc(C2CCC(C(=O)c3ccncc3C(F)(F)F)CC2)nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SCD O00767 3/20 0.44
TYK2 P29597 1/20 0.39
FLT3 P36888 2/20 0.38
CRACR2A Q9BSW2 3/20 0.38
ATR Q13535 1/20 0.37
MAPT P10636 2/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
XPO1 O14980 1/20 0.36
GSK3A P49840 3/20 0.36
GSK3B P49841 3/20 0.36
ELANE P08246 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL5311743 0.90 TYK2 (0.47) LMNAHSD17B10SCDTYK2FLT3
SCHEMBL5311966 0.84 SCD (0.45) LMNAHSD17B10SCDFLT3CRACR2A
SCHEMBL5313775 0.84 MEN1 (0.39) LMNAKDM4EALDH1A1HPGD
SCHEMBL5314287 0.79 SCD (0.44) SCDKDM4EALDH1A1
SCHEMBL5334708 0.78 RBP4 (0.42) LMNAHSD17B10SCDMAPTALDH1A1
SCHEMBL5308717 0.78 SCD (0.46) SCDALDH1A1HPGDRBP4
SCHEMBL5313105 0.77 SCD (0.44) LMNASCDALDH1A1GAAHPGD
SCHEMBL5314274 0.76 MEN1 (0.39) LMNASCDMAPTKDM4EALDH1A1
SCHEMBL5311238 0.75 SCD (0.56) LMNAHSD17B10SCDKDM4EALDH1A1
SCHEMBL14542704 0.74 SCD (0.58) SCD

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-2007044085-A2 HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-19 WO disclosed