Ethane

Ethane

SCHEMBL5417384

CC.CNc1ccc(N(C)O)cc1[N+](=O)[O-]

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.55
MAPT P10636 8/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 1/20 0.52
CDC25B P30305 1/20 0.47
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 3/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
PTGS2 P35354 1/20 0.40
GAA P10253 1/20 0.40
ALDH3A1 P30838 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30723003 0.80 ALDH1A1 (0.56) HCAR3MAPTNPSR1HTTCDC25B
SCHEMBL109662 0.80 ALDH1A1 (0.56) HCAR3MAPTNPSR1HTTCDC25B
SCHEMBL17693662 0.79 MAPT (0.49) HCAR3MAPTNPSR1HTTCDC25B
Hc Blue No. 1 SCHEMBL29683680 0.78 ALDH1A1 (0.73) HCAR3MAPTNPSR1HTTCDC25B
Hc Blue No. 1 SCHEMBL2467623 0.78 ALDH1A1 (0.73) HCAR3MAPTNPSR1HTTCDC25B
SCHEMBL3924109 0.77 MAPT (0.54) MAPTNPSR1ALDH1A1TSHRMAPK1
SCHEMBL6151491 0.77 MAPT (0.47) HCAR3MAPTNPSR1HTTCDC25B
SCHEMBL19003809 0.76 MAPT (0.47) HCAR3MAPTNPSR1ALDH1A1TDP1
SCHEMBL109327 0.76 MAPT (0.46) HCAR3MAPTNPSR1HTTCDC25B
SCHEMBL14174530 0.76 MAPT (0.46) HCAR3MAPTNPSR1HTTCDC25B

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-7241318-B2 Hair dye CREATE CO. (JP) 2007-07-10 US claimed