SCHEMBL6946185

SCHEMBL6946185

CC(=O)Nc1cc(O)c(NC(=O)Cn2cc[n+](C)c2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 4/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PGK1 P00558 1/20 0.35
ATM Q13315 1/20 0.34

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 SCHEMBL6939645 0.99 LMNA (0.39) LMNAHPGDMAPK1SMN1; SMN2CA1
SCHEMBL6939908 0.89 LMNA (0.39) LMNAHPGDMAPK1SMN1; SMN2HTT
SCHEMBL6943533 0.89 LMNA (0.39) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6941513 0.88 LMNA (0.38) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6939997 0.88 LMNA (0.38) LMNAHPGDMAPK1SMN1; SMN2HTT
SCHEMBL6572876 0.86 LMNA (0.39) LMNAHPGDMAPK1SMN1; SMN2CA1
SCHEMBL6941272 0.86 HPGD (0.44) LMNAHPGDMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6573898 0.85 POLB (0.40) LMNAHPGDMAPK1HTTALDH1A1
Hydrochloric Acid SCHEMBL6940892 0.85 HPGD (0.43) LMNAHPGDMAPK1SMN1; SMN2HTT
SCHEMBL6937070 0.85 HPGD (0.41) LMNAHPGDMAPK1SMN1; SMN2CA1

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