SCHEMBL6967481

SCHEMBL6967481

[CH2]NC(=O)c1cc(C)on1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
NPC1 O15118 5/20 0.57
ALDH1A1 P00352 5/20 0.57
RAB9A P51151 5/20 0.57
TP53 P04637 2/20 0.57
GLA P06280 1/20 0.57
HTT P42858 1/20 0.57
GAA P10253 6/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
AGTR1 P30556 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
LMNA P02545 1/20 0.51
GFER P55789 1/20 0.51
USP2 O75604 1/20 0.51
MEN1 O00255 2/20 0.51

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
SCHEMBL345038 0.82 MAPT (0.67) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL18621111 0.82 MAPT (0.67) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL26333020 0.80 MAPT (0.65) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL2827515 0.80 MAPT (0.65) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL11593091 0.80 MAPT (0.65) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL6960703 0.79 CYP2C19 (0.60) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL15427115 0.78 MAPT (1.00) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL1106963 0.77 MAPT (0.73) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL13631419 0.77 CYP2C19 (0.69) MAPTNPC1ALDH1A1RAB9ATP53
SCHEMBL11723150 0.77 MAPT (0.61) MAPTNPC1ALDH1A1RAB9ATP53

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed