SCHEMBL19649341

SCHEMBL19649341

CN1CCOc2cc(/C=C/c3cccc[n+]3CSS)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.43
▸ TRPM5 Q9NZQ8 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ HDAC4 P56524 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MYC P01106 1/20 0.33
▸ RECQL P46063 1/20 0.32

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
SCHEMBL21005797 0.90 GRM5 (0.42) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL14392871 0.87 GRM5 (0.44) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL10104231 0.87 GRM5 (0.44) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL15460030 0.78 GRM5 (0.37) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL18774328 0.78 GRM5 (0.37) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL13695010 0.76 GRM5 (0.35) GRM5TRPM5
SCHEMBL13208462 0.75 GRM5 (0.45) GRM5TRPM5CYP11B1CYP11B2PTGES2
SCHEMBL10104188 0.73 GRM5 (0.44) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL5143030 0.73 GRM5 (0.44) GRM5TRPM5CYP11B1CYP11B2L3MBTL1
SCHEMBL5143029 0.73 GRM5 (0.44) GRM5TRPM5CYP11B1CYP11B2L3MBTL1

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-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — EP disclosed
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