SCHEMBL27979642

SCHEMBL27979642

COc1cccc(NC(=O)N2CC2)c1

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.89
RAB9A P51151 3/20 0.86
NPC1 O15118 2/20 0.86
MAPK1 P28482 4/20 0.73
MAPT P10636 3/20 0.73
ALDH1A1 P00352 3/20 0.73
LMNA P02545 2/20 0.73
TSHR P16473 2/20 0.73
SMN1; SMN2 Q16637 4/20 0.72
FAAH O00519 4/20 0.67
POLB P06746 1/20 0.66
TP53 P04637 1/20 0.64
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 1/20 0.63
GAA P10253 1/20 0.62
GFER P55789 1/20 0.62
GRIN2B Q13224 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL20236314 0.94 HTT (0.80) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL20237168 0.94 HTT (0.80) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL417569 0.93 RAB9A (1.00) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL20236931 0.91 HTT (0.74) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL20236816 0.91 HTT (0.74) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL20236298 0.90 HTT (0.78) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL2399513 0.90 HTT (0.78) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL5426206 0.90 HTT (0.78) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL6394132 0.89 HTT (0.72) HTTRAB9ANPC1MAPK1MAPT
SCHEMBL22217863 0.89 HTT (0.76) HTTRAB9ANPC1MAPK1MAPT

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
CN-104428331-A Active energy ray-polymerizable resin composition and laminate obtained using resin composition TOYO INK SC HOLDINGS CO LTD 2015-03-18 CN disclosed