SCHEMBL6945549

SCHEMBL6945549

CC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](C)c2)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.32
RORC P51449 1/20 0.32
HDAC1 Q13547 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TBXAS1 P24557 1/20 0.31
POLB P06746 1/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
HTT P42858 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
NPC1 O15118 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
TNNI3 P19429 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 SCHEMBL6938829 0.99 TDP1 (0.40) TDP1SMN1; SMN2LMNAALDH1A1MAOA
SCHEMBL6573733 0.88 TDP1 (0.40) TDP1SMN1; SMN2ALDH1A1MAOARORC
Hydrochloric Acid SCHEMBL6575511 0.88 TDP1 (0.40) TDP1SMN1; SMN2ALDH1A1MAOARORC
SCHEMBL6944203 0.84 LMNA (0.41) SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6945005 0.83 LMNA (0.41) SMN1; SMN2LMNA
SCHEMBL6946419 0.82 SMN1; SMN2 (0.41) TDP1SMN1; SMN2LMNAALDH1A1TP53
Hydrochloric Acid SCHEMBL6944489 0.81 SMN1; SMN2 (0.41) TDP1SMN1; SMN2LMNAALDH1A1TBXAS1
SCHEMBL6938793 0.81 HTR7 (0.41) SMN1; SMN2LMNAALDH1A1HSD17B10POLB
Hydrochloric Acid SCHEMBL6945134 0.80 HTR7 (0.40) SMN1; SMN2LMNAALDH1A1HSD17B10POLB
SCHEMBL6945494 0.79 LMNA (0.43) SMN1; SMN2LMNAALDH1A1HSD17B10MEN1

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