SCHEMBL3274174

SCHEMBL3274174

[CH2]CN(C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
C5AR1 P21730 2/20 0.52
AGER Q15109 1/20 0.52
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
GLA P06280 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL20237218 0.85 MAPT (0.52) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL4589513 0.82 SMN1; SMN2 (0.50) MAPTKDM4ELMNAHSD17B10GAA
SCHEMBL25245992 0.82 GLA (0.59) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL13434084 0.82 MAPT (0.57) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL3483110 0.82 CCR5 (0.53) MAPTCA12CA9KDM4ELMNA
SCHEMBL10693747 0.80 MAPT (0.55) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL3178219 0.80 MAPT (0.55) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL4332702 0.80 MAPT (0.55) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL12169302 0.79 C5AR1 (0.62) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL16285233 0.78 MAPT (0.53) MAPTMCOLN3C5AR1AGERCA12

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
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed