SCHEMBL11845271

SCHEMBL11845271

CC1CCCC(n2c(=O)nc(N(C)C)n(C)c2=O)C1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
MAT2A P31153 1/20 0.32
CYP1A2 P05177 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
TNF P01375 1/20 0.30
LITAF Q99732 1/20 0.30

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
SCHEMBL11843893 0.89 MAT2A (0.38) JAK2JAK1JAK3MAT2ACYP1A2
SCHEMBL11523573 0.86 GSK3A (0.39) JAK2JAK1JAK3MAT2A
Hexazinone SCHEMBL4887146 0.84 GSK3A (0.41) JAK2JAK1JAK3MAT2A
Hexazinone SCHEMBL66377 0.84 GSK3A (0.41) JAK2JAK1JAK3MAT2A
SCHEMBL11841806 0.84 GSK3A (0.41) JAK2JAK1JAK3MAT2A
SCHEMBL11841518 0.84 GSK3A (0.41) JAK2JAK1JAK3MAT2A
SCHEMBL11841234 0.83 MAT2A (0.39) MAT2ACYP1A2CASP1CASP7HSD17B10
SCHEMBL11847766 0.82 MAT2A (0.34) MAT2ACYP1A2CASP1CASP7HSD17B10
SCHEMBL11869846 0.82 PIK3CA (0.30)
SCHEMBL11844702 0.80 OPRM1 (0.33) MAT2ACYP1A2CASP1CASP7HSD17B10

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
US-3983116-A Herbicidal triazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-09-28 US disclosed