SCHEMBL18774366

SCHEMBL18774366

C/C=C(\C=C/NC)/C=C/c1ccc(N(C)CCCN(C)C(=O)CSSCC(=O)N(C)CCCN(C)c2ccc(/C=C/c3cc[n+](C)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALPG P10696 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MMP8 P22894 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
SCHEMBL16070319 0.91 MEN1 (0.33) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10104120 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL18774364 0.86 LMNA (0.34) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16070570 0.85
SCHEMBL18774381 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12869217 0.83 MEN1 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL13875479 0.81 MEN1 (0.34) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL12432009 0.80 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL19648990 0.79 MEN1 (0.38) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL21005785 0.78 MEN1 (0.36) MEN1KMT2AMAPTSMN1; SMN2NPSR1

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