SCHEMBL6944276

SCHEMBL6944276

Cc1ccc(N(O)C(=O)Cn2cc[n+](C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.42
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FDPS P14324 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PON1 P27169 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ATG4B Q9Y4P1 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 SCHEMBL6946401 0.99 LMNA (0.45) LMNASMN1; SMN2RAB9ATHRBHPGD
SCHEMBL6944878 0.88 LMNA (0.45) LMNASMN1; SMN2RAB9ATHRBHPGD
SCHEMBL6943176 0.87 LMNA (0.49) LMNASMN1; SMN2RAB9ATHRBHPGD
Hydrochloric Acid SCHEMBL6939670 0.86 LMNA (0.44) LMNASMN1; SMN2RAB9ATHRBHPGD
SCHEMBL6572677 0.84 MEN1 (0.42) LMNASMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL6946144 0.83 ALDH1A1 (0.43) LMNASMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL6946419 0.83 SMN1; SMN2 (0.41) LMNASMN1; SMN2RAB9AHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6575342 0.83 MEN1 (0.41) LMNASMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL6941277 0.82 LMNA (0.41) LMNASMN1; SMN2RAB9ATHRBHPGD
Hydrochloric Acid SCHEMBL6944489 0.82 SMN1; SMN2 (0.41) LMNASMN1; SMN2RAB9ATHRBHPGD

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