SCHEMBL14393553

SCHEMBL14393553

CN1CC[N+](C)=C1SCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RAB9A P51151 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CHAT P28329 3/20 0.33
▸ GAA P10253 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ BRCA1 P38398 1/20 0.32
▸ CASP7 P55210 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
SCHEMBL14393549 0.88 RAB9A (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14393885 0.81 CHAT (0.38) MEN1KMT2AMAPTLMNARAB9A
SCHEMBL13294107 0.80 MEN1 (0.35) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10104040 0.76 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1828769 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1828767 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14146585 0.75 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13645967 0.75 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13963416 0.74 — —
SCHEMBL1826188 0.74 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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