SCHEMBL6574295

SCHEMBL6574295

O=C(Cn1cc[n+](CC(=O)N(O)c2ccccc2)c1)N(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
RECQL P46063 1/20 0.53
MAPT P10636 3/20 0.38
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD4 P21917 1/20 0.32
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL6572677 0.86 MEN1 (0.42) KMT2AMEN1RECQLMAPTALDH1A1
SCHEMBL6573697 0.86 MEN1 (0.42) KMT2AMEN1RECQLMAPTLMNA
Hydrochloric Acid SCHEMBL6572948 0.85 MEN1 (0.41) KMT2AMEN1RECQLLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6575342 0.85 MEN1 (0.41) KMT2AMEN1RECQLMAPTALDH1A1
SCHEMBL6573839 0.85 MEN1 (0.44) KMT2AMEN1RECQLMAPTALDH1A1
Hydrochloric Acid SCHEMBL6572775 0.84 MEN1 (0.43) KMT2AMEN1RECQLMAPTALDH1A1
SCHEMBL6573856 0.83 MEN1 (0.47) KMT2AMEN1RECQLMAPTALDH1A1
SCHEMBL6572944 0.82 MTNR1B (0.40) KMT2AMEN1RECQLPOLBHPGD
SCHEMBL6943176 0.82 LMNA (0.49) KMT2AMEN1RECQLMAPTALDH1A1
Hydrochloric Acid SCHEMBL6574934 0.82 MEN1 (0.46) KMT2AMEN1RECQLMAPTSMN1; SMN2

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-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-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 claimed
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 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
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