SCHEMBL6946291

SCHEMBL6946291

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.36
LMNA P02545 4/20 0.34
MAPK1 P28482 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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 SCHEMBL6944858 0.99 ALDH1A1 (0.36) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL6946387 0.89 HPGD (0.36) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6942108 0.88 HPGD (0.35) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL7628902 0.87 ALDH1A1 (0.38) ALDH1A1LMNAMAPK1HPGDHTT
SCHEMBL6939908 0.84 LMNA (0.39) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL6943533 0.84 LMNA (0.39) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL6941327 0.84 HPGD (0.43) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6941513 0.83 LMNA (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6939997 0.83 LMNA (0.38) ALDH1A1LMNAMAPK1HPGDSMN1; SMN2
SCHEMBL6944219 0.83 HPGD (0.37) ALDH1A1LMNAMAPK1HPGDSMN1; 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