SCHEMBL9891658

SCHEMBL9891658

CNC(=O)NCCC[N+](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ACHE P22303 2/20 0.41
NFKB1 P19838 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
EPHX1 P07099 5/20 0.40
BBOX1 O75936 2/20 0.40
APEX1 P27695 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 3/20 0.36

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
SCHEMBL9891657 0.89 EPHX1 (0.50) ACHENFKB1MAPK1EPHX1BBOX1
SCHEMBL11382117 0.81 KEAP1 (0.55) KEAP1NFE2L2MAPK1EPHX1KMT2A
SCHEMBL13466509 0.81 KEAP1 (0.61) KEAP1NFE2L2MAPK1EPHX1SMN1; SMN2
SCHEMBL14004334 0.81 EPHX1 (0.48) ACHEEPHX1KMT2AMEN1
SCHEMBL19171946 0.79 EPHX1 (0.61) KEAP1NFE2L2MAPK1EPHX1SMN1; SMN2
SCHEMBL9547610 0.79 EPHX1 (0.61) KEAP1NFE2L2MAPK1EPHX1SMN1; SMN2
SCHEMBL20443858 0.78 ACHE (0.42) ACHEBBOX1SMN1; SMN2KMT2AMEN1
SCHEMBL8763339 0.77 KDM4E (0.61) ACHENFKB1CHRM2CHRM4CHRM5
SCHEMBL19171419 0.77 EPHX1 (0.58) KEAP1NFE2L2MAPK1EPHX1KMT2A
SCHEMBL12558670 0.76 EPHX1 (0.53) EPHX1

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-20120138473-A1 ZINC PLATING BATH ADDITIVE AND ALKALINE NON-CYANIDE ZINC PLATING BATH YUKEN INDUSTRY CO., LTD. (JP) 2012-06-07 US disclosed