SCHEMBL18774418

SCHEMBL18774418

C=CC(/C=C/c1ccc2c(c1)c1ccccc1n2C)=C\C=N\CCSSCC[n+]1ccc(/C=C/c2ccc3c(c2)c2ccccc2n3C)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CACNA1B Q00975 1/20 0.32
▸ APBA1 Q02410 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
SCHEMBL13926078 0.85 MEN1 (0.40) MEN1POLBKMT2A
SCHEMBL13926450 0.82 MEN1 (0.40) MEN1POLBKMT2A
SCHEMBL10104210 0.82 GPR3 (0.40) MEN1POLBKMT2A
SCHEMBL16070280 0.79 APP (0.32) —
SCHEMBL12451468 0.79 KDM4A (0.43) MEN1KMT2A
SCHEMBL18774194 0.78 MEN1 (0.38) MEN1KMT2A
SCHEMBL21005628 0.77 — —
SCHEMBL14401577 0.77 KDM4E (0.38) POLBKMT2A
SCHEMBL18774196 0.76 PTGS2 (0.38) MEN1KMT2A
SCHEMBL13694972 0.76 APP (0.47) MEN1KMT2A

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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