SCHEMBL6943539

SCHEMBL6943539

COC(=O)Nc1ccc(N(O)C(=O)Cn2cc[n+](C)c2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 7/20 0.34
EGFR P00533 4/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31

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 SCHEMBL6940001 0.99 LMNA (0.36) LMNASMN1; SMN2KDREGFRHPGD
SCHEMBL6946188 0.89 SMN1; SMN2 (0.38) LMNASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL6946411 0.89 CYP1A2 (0.41) LMNASMN1; SMN2KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL6944704 0.88 LMNA (0.37) LMNASMN1; SMN2HPGDKDM4EALDH1A1
SCHEMBL6946299 0.88 LMNA (0.36) LMNASMN1; SMN2ALDH1A1POLBMEN1
Hydrochloric Acid SCHEMBL7635538 0.88 POLB (0.36) LMNAKDREGFRHPGDKDM4E
Hydrochloric Acid SCHEMBL6944288 0.88 CYP1A2 (0.40) LMNASMN1; SMN2KDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL6945516 0.87 LMNA (0.36) LMNASMN1; SMN2HPGDALDH1A1POLB
SCHEMBL6939931 0.84 MAPT (0.46) LMNASMN1; SMN2HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6945703 0.83 MAPT (0.45) LMNASMN1; SMN2HPGDKDM4EALDH1A1

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