SCHEMBL7807367

SCHEMBL7807367

COC(=O)Nc1cc(Cl)c(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(O)c(NC(=O)OC)cc3Cl)c2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 6/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2D6 P10635 2/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 1/20 0.33
RECQL P46063 1/20 0.33

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 SCHEMBL7635532 0.99 POLB (0.39) HPGDMAPK1LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL7630524 0.99 POLB (0.39) HPGDMAPK1LMNAALDH1A1POLB
SCHEMBL6572876 0.89 LMNA (0.39) HPGDMAPK1LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL6573898 0.88 POLB (0.40) HPGDMAPK1LMNAALDH1A1POLB
SCHEMBL7805068 0.87 ALDH1A1 (0.42) MAPK1LMNAALDH1A1POLBCYP1A2
SCHEMBL7805136 0.87 ALDH1A1 (0.42) MAPK1LMNAALDH1A1POLBCYP1A2
SCHEMBL6939908 0.87 LMNA (0.39) HPGDMAPK1LMNAALDH1A1POLB
SCHEMBL6943533 0.87 LMNA (0.39) HPGDMAPK1LMNAALDH1A1POLB
Hydrochloric Acid SCHEMBL7632194 0.86 ALDH1A1 (0.42) MAPK1LMNAALDH1A1POLBCYP1A2
Hydrochloric Acid SCHEMBL7635823 0.86 ALDH1A1 (0.42) MAPK1LMNAALDH1A1POLBCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066263-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000043368-A1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed