SCHEMBL18774402

SCHEMBL18774402

Cc1ccc(N(C)/N=C/c2cc[n+](CCSSCCN3C=CC(/C=N/N(C)c4ccccc4)=CC3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15624235 0.96 MEN1 (0.33) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL13043380 0.78 MEN1 (0.43) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL12869222 0.78 MEN1 (0.43) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL18074365 0.71 MEN1 (0.34) MEN1NPC1MAPTHPGDRAB9A
Bromide SCHEMBL28713006 0.71 MAPT (0.34) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL13043594 0.71 MEN1 (0.39) MEN1NPC1MAPTHPGDRAB9A
Bromide SCHEMBL28712992 0.70 MEN1 (0.33) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL5495804 0.70 MEN1 (0.33) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL13694853 0.70 MEN1 (0.42) MEN1NPC1MAPTHPGDRAB9A
SCHEMBL16549755 0.69 HTT (0.31) —

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-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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