SCHEMBL12657289

SCHEMBL12657289

CN(CCSc1nccc[n+]1C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ APOBEC3A P31941 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.37
▸ CHAT P28329 6/20 0.36
▸ RAB9A P51151 6/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ CASP1 P29466 2/20 0.33

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
SCHEMBL14393720 0.92 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12657257 0.90 APOBEC3A (0.49) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14393713 0.86 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14393715 0.85 CHAT (0.39) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14393857 0.81 CHAT (0.41) MEN1KMT2AMAPTLMNAAPOBEC3A
SCHEMBL14393537 0.80 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14393714 0.79 APOBEC3A (0.42) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14393548 0.78 CHAT (0.37) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10104040 0.77 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1826189 0.77 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1SMN1; 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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