SCHEMBL6573660

SCHEMBL6573660

Nc1c(Cl)cc(NC(=O)Cn2cc[n+](CC(=O)Nc3cc(Cl)c(N)c(Cl)c3O)c2)c(O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RECQL P46063 1/20 0.34
MAPK1 P28482 3/20 0.34
POLB P06746 3/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
CYP2C9 P11712 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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 SCHEMBL6572968 0.99 POLB (0.35) KMT2AMEN1RECQLMAPK1POLB
SCHEMBL6572970 0.87 HPGD (0.41) KMT2AMEN1RECQLMAPK1POLB
Hydrochloric Acid SCHEMBL6573781 0.86 MAPK1 (0.40) KMT2AMEN1RECQLMAPK1POLB
SCHEMBL6944219 0.85 HPGD (0.37) KMT2AMAPK1POLBLMNAHPGD
SCHEMBL6572929 0.85 MAPK1 (0.38) KMT2AMEN1RECQLMAPK1POLB
Hydrochloric Acid SCHEMBL6943653 0.84 HPGD (0.36) MAPK1POLBLMNAHPGDHTT
Hydrochloric Acid SCHEMBL6572782 0.84 MAPK1 (0.38) KMT2AMEN1RECQLMAPK1POLB
SCHEMBL6573675 0.84 ALDH1A1 (0.36) KMT2AMEN1RECQLMAPK1POLB
Hydrochloric Acid SCHEMBL6572714 0.83 ALDH1A1 (0.37) KMT2AMEN1RECQLMAPK1POLB
Hydrochloric Acid SCHEMBL7628902 0.81 ALDH1A1 (0.38) KMT2AMEN1RECQLMAPK1POLB

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-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP disclosed