SCHEMBL6946387

SCHEMBL6946387

CC(=O)Nc1c(Cl)cc(NC(=O)Cn2cc[n+](C)c2)c(O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
ALDH1A1 P00352 7/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
BACE1 P56817 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31

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
Hydrochloric Acid SCHEMBL6942108 0.99 HPGD (0.35) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6946291 0.89 ALDH1A1 (0.36) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6944858 0.89 ALDH1A1 (0.36) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6573675 0.87 ALDH1A1 (0.36) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6572714 0.86 ALDH1A1 (0.37) HPGDLMNAMAPK1HTTALDH1A1
SCHEMBL6941327 0.85 HPGD (0.43) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6944219 0.84 HPGD (0.37) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL5484769 0.84 HPGD (0.42) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6943653 0.83 HPGD (0.36) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6946185 0.83 LMNA (0.40) HPGDLMNAMAPK1SMN1; SMN2HTT

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