SCHEMBL6941327

SCHEMBL6941327

Cc1c(Cl)cc(NC(=O)Cn2cc[n+](C)c2)c(O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
LMNA P02545 4/20 0.43
MAPK1 P28482 3/20 0.43
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.32
HSD17B10 Q99714 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 SCHEMBL5484769 0.99 HPGD (0.42) HPGDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6944219 0.87 HPGD (0.37) HPGDLMNAMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6943653 0.86 HPGD (0.36) HPGDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6572970 0.86 HPGD (0.41) HPGDLMNAMAPK1HTTALDH1A1
Hydrochloric Acid SCHEMBL6573781 0.85 MAPK1 (0.40) HPGDLMNAMAPK1HTTALDH1A1
SCHEMBL6946387 0.85 HPGD (0.36) HPGDLMNAMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6942108 0.84 HPGD (0.35) HPGDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6946291 0.84 ALDH1A1 (0.36) HPGDLMNAMAPK1HTTSMN1; SMN2
SCHEMBL6941272 0.83 HPGD (0.44) HPGDLMNAMAPK1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6944858 0.83 ALDH1A1 (0.36) HPGDLMNAMAPK1HTTSMN1; SMN2

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