SCHEMBL6946140

SCHEMBL6946140

C[n+]1ccn(CC(=O)Nc2ccc(NC(=O)Cn3cc[n+](C)c3)c(O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPK1 P28482 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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 SCHEMBL6939292 0.99 HPGD (0.43) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6943594 0.94 POLB (0.40) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6943122 0.94 POLB (0.43) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6944277 0.93 POLB (0.42) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5243053 0.93 POLB (0.40) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6939926 0.92 CYP2C19 (0.39) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6945393 0.92 ALDH1A1 (0.41) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6942087 0.91 CYP2C19 (0.38) HPGDTSHRLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6941708 0.91 ALDH1A1 (0.40) HPGDTSHRLMNASMN1; SMN2ALDH1A1
SCHEMBL6572695 0.89 HPGD (0.39) HPGDTSHRLMNASMN1; SMN2ALDH1A1

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