SCHEMBL10073987

SCHEMBL10073987

Cc1nn(C)cc1C(=O)NC(C)CC(C)CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
ATM Q13315 1/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALPL P05186 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
NTRK1 P04629 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL10073986 0.83 GAA (0.45) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL16643752 0.77 GAA (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL24404818 0.73 CNR1 (0.51) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL26077723 0.71 GAA (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL273097 0.70 ATM (0.60) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL28509439 0.69 ALDH1A1 (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL28510286 0.69 ALDH1A1 (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL28509438 0.69 ALDH1A1 (0.55) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL8568083 0.69 GAA (0.69) GAAATMNAMPTSMN1; SMN2ALDH1A1
SCHEMBL22987577 0.69 GAA (0.59) GAAATMNAMPTSMN1; SMN2ALDH1A1

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-8148538-B2 N-alkyl-heterocyclyl carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2012-04-03 US disclosed