SCHEMBL6937070

SCHEMBL6937070

C[n+]1ccn(CC(=O)Nc2cc(Cl)c(N)cc2O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 2/20 0.35

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 SCHEMBL6938864 0.99 LMNA (0.40) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6941272 0.87 HPGD (0.44) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6572929 0.86 MAPK1 (0.38) HPGDLMNAMAPK1HTTCA1
Hydrochloric Acid SCHEMBL6940892 0.86 HPGD (0.43) HPGDLMNAMAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL6572782 0.85 MAPK1 (0.38) HPGDLMNAMAPK1HTTCA1
SCHEMBL6946185 0.85 LMNA (0.40) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6944219 0.84 HPGD (0.37) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6939461 0.84 ALDH1A1 (0.42) LMNAMAPK1SMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL6939645 0.84 LMNA (0.39) HPGDLMNAMAPK1SMN1; SMN2HTT
SCHEMBL6943533 0.83 LMNA (0.39) HPGDLMNAMAPK1SMN1; SMN2HTT

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