SCHEMBL5143029

SCHEMBL5143029

CN1CCOc2cc(/C=C/c3cc[n+](CCS)cc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.44
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ TRPM5 Q9NZQ8 1/20 0.36
▸ MYC P01106 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HDAC4 P56524 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL5143030 1.00 GRM5 (0.44) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL10104188 0.88 GRM5 (0.44) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL19903927 0.86 GRM5 (0.42) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL15337731 0.84 GRM5 (0.41) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL13208462 0.84 GRM5 (0.45) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL14392871 0.82 GRM5 (0.44) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL13695027 0.82 HDAC4 (0.45) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL14392938 0.81 GRM5 (0.38) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL16070379 0.80 GRM5 (0.38) GRM5CYP11B1CYP11B2NOTUMTRPM5
SCHEMBL14392868 0.79 MAPT (0.44) NOTUMMAPTALDH1A1PDE10AHDAC1

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
EP-2205680-B1 DICHROMOPHORE CARBONYL OR HETEROCYCLIC DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR DYEING KERATIN MATERIALS USING THIS DYE OREAL (FR) 2012-06-27 — — EP disclosed
WO-2009040355-A2 DICHROMOPHORE CARBONYL OR HETEROCYCLIC DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR DYEING KERATIN MATERIALS USING THIS DYE L'OREAL (FR) 2009-04-02 — — WO disclosed
WO-2007110541-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A CONDENSED CYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 — — WO disclosed
WO-2007110541-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING A CONDENSED CYCLE, WITH AN INTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'OREAL (FR) 2007-10-04 — — WO disclosed
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