SCHEMBL14393557

SCHEMBL14393557

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CHRM2 P08172 2/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ CHRM5 P08912 2/20 0.35
▸ CHRM1 P11229 2/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ RAB9A P51151 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 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
SCHEMBL14393709 0.89 CHRM2 (0.37) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14393552 0.87 RAB9A (0.40) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1828769 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1828767 0.84 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1826189 0.80 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1826188 0.80 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10104040 0.77 MEN1 (0.58) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14146585 0.76 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13645967 0.75 MEN1 (0.68) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14393553 0.74 MEN1 (0.43) KMT2AMEN1ALDH1A1MAPTSMN1; 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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