SCHEMBL14401577

SCHEMBL14401577

C=CC(/C=C/c1ccc2c(c1)OCCO2)=C\C=N\CCSSCC[n+]1ccc(/C=C/c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 6/20 0.37
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ CXCL12 P48061 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ STAT3 P40763 1/20 0.32
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18774193 0.87 GRM5 (0.32) —
SCHEMBL16070280 0.83 APP (0.32) —
SCHEMBL21005628 0.81 — —
SCHEMBL12451468 0.80 KDM4A (0.43) MAPTRAB9ANPC1NPSR1KMT2A
SCHEMBL18774196 0.80 PTGS2 (0.38) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL18774214 0.78 MAOB (0.35) MAOB
SCHEMBL18774292 0.78 CHRM2 (0.35) —
SCHEMBL18774194 0.78 MEN1 (0.38) MAPTKMT2AALDH1A1GAAHPGD
SCHEMBL18774418 0.77 MEN1 (0.32) KMT2APOLB
SCHEMBL18774311 0.75 KDM4A (0.34) —

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
WO-2007110540-A2 DYEING COMPOSITION CONTAINING A THIOL/DISULPHIDE FLUORESCENT COLORANT COMPRISING AN ALKOXY/HYDROXY GROUPING, 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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