SCHEMBL6946004

SCHEMBL6946004

C[n+]1ccn(CC(=O)Nc2cccc(NC(=O)Cn3cc[n+](C)c3)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
MAPK1 P28482 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
AHR P35869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2D6 P10635 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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 SCHEMBL6941400 0.99 HPGD (0.46) HPGDMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL6938789 0.95 HPGD (0.43) HPGDMAPK1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6942071 0.94 HPGD (0.42) HPGDMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL7022184 0.89 HPGD (0.40) HPGDMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL7020504 0.88 HPGD (0.40) HPGDMAPK1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7099721 0.88 HPGD (0.40) HPGDMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL6943172 0.88 MAPT (0.49) HPGDMAPK1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7101165 0.87 HPGD (0.39) HPGDMAPK1LMNAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6940683 0.86 HPGD (0.48) HPGDMAPK1LMNAMAPTSMN1; SMN2
SCHEMBL7016346 0.85 HPGD (0.38) HPGDMAPK1LMNAMAPTSMN1; 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