SCHEMBL6945544

SCHEMBL6945544

CC(=O)Nc1cc(N)c(NC(=O)Cn2cc[n+](C)c2)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 2/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
PKM P14618 1/20 0.30
ALDH1A1 P00352 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 SCHEMBL6938822 0.99 LMNA (0.36) LMNASMN1; SMN2TDP1CA12CA1
SCHEMBL6573730 0.88 MEN1 (0.34) LMNASMN1; SMN2TDP1POLBCYP1A2
Hydrochloric Acid SCHEMBL6575506 0.87 MEN1 (0.33) LMNASMN1; SMN2TDP1POLBALDH1A1
SCHEMBL6944197 0.86 LMNA (0.39) LMNASMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL6943223 0.85 LMNA (0.38) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6946389 0.82 ALDH1A1 (0.40) LMNASMN1; SMN2CA12CA1CA2
Hydrochloric Acid SCHEMBL6941302 0.81 ALDH1A1 (0.40) LMNASMN1; SMN2CA12CA1CA2
SCHEMBL6943594 0.80 POLB (0.40) LMNASMN1; SMN2POLBCYP1A2HPGD
SCHEMBL6945490 0.79 LMNA (0.41) LMNASMN1; SMN2TDP1CA12CA1
Hydrochloric Acid SCHEMBL5243053 0.79 POLB (0.40) LMNASMN1; SMN2POLBCYP1A2HPGD

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