SCHEMBL10401033

SCHEMBL10401033

CC(CN)C(=O)N(C)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
LMNA P02545 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
KMT2A Q03164 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
RIPK1 Q13546 1/20 0.47
AOC3 Q16853 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL17897166 0.85 HPGD (1.00) HPGDLMNANPC1RAB9ACA12
SCHEMBL8304511 0.83 HPGD (0.59) HPGDLMNANPC1RAB9ACA12
SCHEMBL3220549 0.83 HPGD (0.68) HPGDLMNANPC1RAB9ACA12
SCHEMBL1007950 0.83 HPGD (0.68) HPGDLMNANPC1RAB9ACA12
SCHEMBL1007948 0.83 HPGD (0.68) HPGDLMNANPC1RAB9ACA12
SCHEMBL12251783 0.82 HPGD (0.72) HPGDLMNANPC1RAB9ACA12
SCHEMBL24517340 0.82 HPGD (0.71) HPGDLMNANPC1RAB9ACA12
Hydrochloric Acid SCHEMBL6529138 0.81 HPGD (0.66) HPGDLMNANPC1RAB9ACA12
SCHEMBL6792743 0.81 HPGD (0.56) HPGDLMNANPC1RAB9ACA12
SCHEMBL7151770 0.80 HPGD (0.64) HPGDLMNANPC1RAB9ACA12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4929644-A QUATERNARY AMMONIUM COMPOUNDS, SMECTITE CLAYS RHEOX, INC. (US) 1990-05-29 US claimed
EP-0265101-A2 Biocidal thickening additive for an organic composition RHEOX INTERNATIONAL, INC. (US) 1988-04-27 EP claimed
US-4929644-A QUATERNARY AMMONIUM COMPOUNDS, SMECTITE CLAYS RHEOX, INC. (US) 1990-05-29 US disclosed
EP-0265101-A2 Biocidal thickening additive for an organic composition RHEOX INTERNATIONAL, INC. (US) 1988-04-27 EP disclosed