SCHEMBL14393548

SCHEMBL14393548

C[n+]1ccc(/C=C/c2ccc(NCCSc3nccc[n+]3C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 7/20 0.37
▸ APOBEC3A P31941 4/20 0.35
▸ APOBEC3G Q9HC16 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GFER P55789 1/20 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
SCHEMBL14393539 0.90 APOBEC3A (0.47) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL14393535 0.80 CHAT (0.46) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL12657289 0.78 MEN1 (0.44) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL10104065 0.77 ALDH1A1 (0.46) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL14393720 0.76 MEN1 (0.41) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL14393715 0.75 CHAT (0.39) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL14393536 0.73 RAB9A (0.35) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL19649035 0.72 MAPT (0.44) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL14393543 0.71 RAB9A (0.46) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1
SCHEMBL10104052 0.70 RAB9A (0.50) CHATAPOBEC3AAPOBEC3GRAB9AALDH1A1

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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