SCHEMBL6945494

SCHEMBL6945494

C[n+]1ccn(CC(=O)N(O)c2ccccc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RECQL P46063 1/20 0.36
PON1 P27169 1/20 0.33
FDPS P14324 2/20 0.32
HSD17B10 Q99714 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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 SCHEMBL6942135 0.99 LMNA (0.42) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6944203 0.85 LMNA (0.41) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6573856 0.85 MEN1 (0.47) LMNASMN1; SMN2MEN1KMT2ARECQL
Hydrochloric Acid SCHEMBL6945005 0.84 LMNA (0.41) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6574934 0.84 MEN1 (0.46) SMN1; SMN2MEN1KMT2ARECQLCYP3A4
SCHEMBL6943176 0.81 LMNA (0.49) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6943613 0.81 LMNA (0.40) LMNASMN1; SMN2THRBHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6941833 0.80 LMNA (0.39) LMNASMN1; SMN2THRBHPGDL3MBTL1
SCHEMBL6945549 0.79 TDP1 (0.41) LMNASMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6944878 0.79 LMNA (0.45) LMNASMN1; SMN2THRBHPGDL3MBTL1

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