SCHEMBL5550233

SCHEMBL5550233

COc1c(Cl)cccc1NC(=O)Nc1ccc(N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.55
MAPT P10636 7/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
MT-CO2 P00403 1/20 0.49
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC1A2 P43004 1/20 0.46
LCK P06239 1/20 0.45
HCK P08631 1/20 0.45

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
SCHEMBL5458486 0.88 MAPT (0.61) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL5455899 0.88 MAPT (0.53) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL5549880 0.87 MAPT (0.52) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5463537 0.85 MAPT (0.59) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5465394 0.82 RAB9A (0.75) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5457959 0.79 P2RY1 (0.58) MAPTNPC1RAB9ALMNATP53
SCHEMBL5460766 0.79 RBP4 (0.67) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5550238 0.79 RBP4 (0.55) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5454329 0.78 KMT2A (0.57) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL5455973 0.78 TRPV1 (0.51) RAF1MAPTNPC1RAB9ALMNA

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-1764360-A1 UREA DERIVATIVE Sankyo Company, Limited (JP) 2007-03-21 EP claimed