SCHEMBL6151007

SCHEMBL6151007

CC(=O)Nc1cc([N+](=O)[O-])ccc1OCCCCl

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
CYP19A1 P11511 1/20 0.54
HTT P42858 1/20 0.53
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.49
THRB P10828 1/20 0.48
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.47
BLM P54132 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL11419008 0.93 RAB9A (0.58) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL11418328 0.93 RAB9A (0.58) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL11414383 0.92 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL5718254 0.90 CYP19A1 (0.67) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL10661602 0.90 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL11259499 0.89 RAB9A (0.57) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL11650456 0.88 TSHR (0.57) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL222384 0.88 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL11257538 0.87 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2CYP19A1HTTMEN1
SCHEMBL3128740 0.87 MEN1 (0.58) RAB9ASMN1; SMN2CYP19A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064268-B1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2005-11-30 EP disclosed
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP disclosed
EP-1064267-B1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2004-09-29 EP disclosed
US-6461389-B1 HAIR DYE L'OREAL S.A. (FR) 2002-10-08 US disclosed
US-6451068-B1 OXIDATIVE COLOR DYES FOR HAIR L'ORéAL S.A. (FR) 2002-09-17 US disclosed
US-6419711-B1 PHENOLIC COMPOUND COUPLER L'OREAL (FR) 2002-07-16 US disclosed
EP-1064268-A1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP disclosed
EP-1064267-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2001-01-03 EP disclosed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP disclosed
WO-1999048874-A1 NOVEL CATIONIC COUPLING AGENTS, THEIR USE FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO disclosed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO disclosed
WO-1999048875-A1 NOVEL CATIONIC COMPOUNDS, THEIR USE AS COUPLING AGENTS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-09-30 WO disclosed