SCHEMBL12451966

SCHEMBL12451966

CN(CCSc1n(C)cc[n+]1C)c1ccc(C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2A13 Q16696 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ ALDH3A1 P30838 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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 0.85 MEN1 (0.46) ALDH1A1POLBAPOBEC3AAPOBEC3GKMT2A
SCHEMBL1828767 0.85 MEN1 (0.46) ALDH1A1POLBAPOBEC3AAPOBEC3GKMT2A
SCHEMBL14393556 0.81 RAB9A (0.42) ALDH1A1POLBAPOBEC3AAPOBEC3GKMT2A
SCHEMBL14393710 0.78 MEN1 (0.55) ALDH1A1POLBAPOBEC3AAPOBEC3GKMT2A
SCHEMBL13694981 0.73 KDM4A (0.48) ALDH1A1APOBEC3AAPOBEC3GKMT2AMAPT
SCHEMBL339459 0.73 CYP2A6 (0.53) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL14393557 0.71 KMT2A (0.44) ALDH1A1POLBKMT2AKDM4EMAPT
SCHEMBL13294086 0.71 MEN1 (0.36) ALDH1A1POLBAPOBEC3AAPOBEC3GKMT2A
SCHEMBL13645995 0.71 CYP2A6 (0.64) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3
SCHEMBL12657477 0.70 CYP2A6 (0.50) CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3

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-2205681-B1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION OREAL (FR) 2011-08-31 — — EP disclosed
WO-2009040354-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL (FR) 2009-04-02 — — WO disclosed
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