SCHEMBL4361967

SCHEMBL4361967

CN(C)CCNc1[c]ccc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 1/20 0.38
FLT3 P36888 2/20 0.37
GSR P00390 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TSHR P16473 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PDE5A O76074 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1355114 0.82 ALDH1A1 (0.35) MAPK8MAPK9ALDH1A1CYP2C19
SCHEMBL4350048 0.78 KAT2B (0.32) ALDH1A1
SCHEMBL1355590 0.75 DRD2 (0.40) NPSR1
SCHEMBL1355874 0.74 SIGMAR1 (0.41) NPSR1TSHR
SCHEMBL1356124 0.72 ALDH1A1 (0.46) MALT1ALDH1A1CYP2C19
SCHEMBL13589541 0.71 GSR (0.50) TOP2BFLT3GSRNPSR1TSHR
SCHEMBL4360471 0.71 GSR (0.37) GSRALDH1A1
SCHEMBL3122170 0.69 CYP2C19 (0.46) MALT1CYP2C19
SCHEMBL941266 0.68 G6PD (0.37) ALDH1A1
SCHEMBL10485251 0.68 ALDH1A1 (0.67) NPSR1ALDH1A1

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-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed