SCHEMBL18774194

SCHEMBL18774194

C=CC(/C=C/c1ccc2c(c1)CCCN2C)=C\C=N\CCSSCC[n+]1ccc(/C=C/c2ccc3c(c2)CCCN3C)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL19649316 0.93 MEN1 (0.33) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL21005549 0.90 MEN1 (0.33) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL10104189 0.82 ALDH1A1 (0.54) MEN1ALDH1A1GAAMAPTHPGD
SCHEMBL18774196 0.81 PTGS2 (0.38) MEN1MAPTKMT2A
SCHEMBL16070280 0.78 APP (0.32) —
SCHEMBL12451468 0.78 KDM4A (0.43) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL18774214 0.78 MAOB (0.35) —
SCHEMBL14401577 0.78 KDM4E (0.38) ALDH1A1GAAMAPTHPGDKMT2A
SCHEMBL18774418 0.78 MEN1 (0.32) MEN1KMT2A
SCHEMBL21005628 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651374-B1 PROCESS FOR DYEING KERATIN FIBRES USING A DIRECT DYE BEARING A DISULFIDE/THIOL/PROTECTED THIOL FUNCTION AND WATER VAPOUR L'ORÉAL (FR) 2018-02-28 — — EP disclosed
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
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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