SCHEMBL6941358

SCHEMBL6941358

C[n+]1ccn(CC(=O)Nc2cc(Cl)ccc2O)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
HTT P42858 2/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KCNMA1 Q12791 5/20 0.46
STAT3 P40763 1/20 0.45

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 SCHEMBL6944291 0.99 POLB (0.55) POLBHTTMEN1KMT2AHPGD
SCHEMBL6943172 0.84 MAPT (0.49) MEN1KMT2AHPGDALDH1A1MAPK1
SCHEMBL6573830 0.84 POLB (0.55) POLBHTTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL6940683 0.83 HPGD (0.48) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL6941272 0.82 HPGD (0.44) POLBHTTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL6572772 0.82 POLB (0.53) POLBHTTMEN1KMT2AHPGD
SCHEMBL6943676 0.82 ALDH1A1 (0.56) POLBHTTMEN1KMT2AALDH1A1
SCHEMBL6937070 0.81 HPGD (0.41) POLBHTTHPGDALDH1A1MAPK1
Hydrochloric Acid SCHEMBL6940892 0.81 HPGD (0.43) POLBHTTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL6945631 0.81 ALDH1A1 (0.55) POLBHTTMEN1KMT2AALDH1A1

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