SCHEMBL18774328

SCHEMBL18774328

CN1CCOc2cc(/C=C/c3cccc[n+]3CCSSCC[n+]3ccccc3CCc3ccc4c(c3)OCCN4C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.37
▸ TRPM5 Q9NZQ8 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ KDM4A O75164 2/20 0.31
▸ KDM2A Q9Y2K7 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10104231 0.90 GRM5 (0.44) GRM5TRPM5PDE10ACYP11B1CYP11B2
SCHEMBL21005797 0.84 GRM5 (0.42) GRM5TRPM5PDE10ACYP11B1CYP11B2
SCHEMBL15460030 0.81 GRM5 (0.37) GRM5TRPM5CYP11B1CYP11B2PTGES2
SCHEMBL14392871 0.81 GRM5 (0.44) GRM5TRPM5PDE10ACYP11B1CYP11B2
SCHEMBL14392938 0.79 GRM5 (0.38) GRM5TRPM5PDE10ACYP11B1CYP11B2
SCHEMBL13695010 0.79 GRM5 (0.35) GRM5TRPM5
SCHEMBL19649341 0.78 GRM5 (0.43) GRM5TRPM5PDE10ACYP11B1CYP11B2
SCHEMBL10104188 0.74 GRM5 (0.44) GRM5TRPM5PDE10ACYP11B1CYP11B2
SCHEMBL10313124 0.72 MEN1 (0.56) KDM4AKDM2AMEN1NPC1APOBEC3A
SCHEMBL15337731 0.71 GRM5 (0.41) GRM5TRPM5PDE10ACYP11B1CYP11B2

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-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
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