SCHEMBL6944219

SCHEMBL6944219

C[n+]1ccn(CC(=O)Nc2cc(Cl)c(N)c(Cl)c2O)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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 SCHEMBL6943653 0.99 HPGD (0.36) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6941327 0.87 HPGD (0.43) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL5484769 0.86 HPGD (0.42) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6573660 0.85 KMT2A (0.34) HPGDLMNAMAPK1HTTALDH1A1
Hydrochloric Acid SCHEMBL6572968 0.84 POLB (0.35) HPGDLMNAMAPK1HTTALDH1A1
SCHEMBL6946387 0.84 HPGD (0.36) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6937070 0.84 HPGD (0.41) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6942108 0.84 HPGD (0.35) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6938864 0.83 LMNA (0.40) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6946291 0.83 ALDH1A1 (0.36) 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