SCHEMBL6943533

SCHEMBL6943533

COC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](C)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
STAT3 P40763 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6939908 1.00 LMNA (0.39) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6941513 0.99 LMNA (0.38) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6939997 0.99 LMNA (0.38) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6946185 0.89 LMNA (0.40) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6939645 0.88 LMNA (0.39) LMNAHPGDMAPK1ALDH1A1SMN1; SMN2
SCHEMBL7807367 0.87 HPGD (0.37) LMNAHPGDMAPK1ALDH1A1HTT
SCHEMBL6946400 0.87 ALDH1A1 (0.44) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6939598 0.87 ALDH1A1 (0.44) LMNAMAPK1ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL7635532 0.86 POLB (0.39) LMNAHPGDMAPK1ALDH1A1HTT
Hydrochloric Acid SCHEMBL7630524 0.86 POLB (0.39) LMNAHPGDMAPK1ALDH1A1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed