SCHEMBL1828767

SCHEMBL1828767

CN(CCSc1n(C)cc[n+]1C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GFER P55789 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RAB9A P51151 7/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CHAT P28329 3/20 0.35
▸ NPC1 O15118 5/20 0.34
▸ GAA P10253 2/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL1828769 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14393556 0.88 RAB9A (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12451966 0.85 CYP2A6 (0.37) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14393710 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14393557 0.84 KMT2A (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13694981 0.81 KDM4A (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14393858 0.80 CHAT (0.40) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL10104040 0.79 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1826188 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1826189 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004756-B1 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT OREAL (FR) 2011-05-04 — — EP disclosed
WO-2007110534-A2 DYEING COMPOSITION COMPRISING A THIOL/DISULPHIDE FLUORESCENT COLORANT HAVING AN EXTERNAL CATIONIC CHARGE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING SAID COLORANT L'ORÉAL (FR) 2007-10-04 — — WO disclosed
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