SCHEMBL6946419

SCHEMBL6946419

CC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP1A2 P05177 2/20 0.37
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 2/20 0.36
CA12 O43570 1/20 0.36
BRD4 O60885 1/20 0.36
NR1I2 O75469 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MB P02144 1/20 0.36
CYP1A1 P04798 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 SCHEMBL6944489 0.99 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL6946144 0.90 ALDH1A1 (0.43) SMN1; SMN2LMNATDP1CYP1A2MAPT
Hydrochloric Acid SCHEMBL6944718 0.89 ALDH1A1 (0.42) SMN1; SMN2LMNATDP1MAPTALDH1A1
SCHEMBL6939931 0.88 MAPT (0.46) SMN1; SMN2LMNAKMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL6945703 0.87 MAPT (0.45) SMN1; SMN2LMNAKMT2AL3MBTL1MAPT
SCHEMBL6938793 0.86 HTR7 (0.41) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
SCHEMBL6575613 0.86 MEN1 (0.38) SMN1; SMN2LMNAMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL6945134 0.85 HTR7 (0.40) SMN1; SMN2LMNAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL6573128 0.85 KMT2A (0.38) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL6944276 0.83 LMNA (0.46) SMN1; SMN2LMNAMEN1KMT2AHTT

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