SCHEMBL6161257

SCHEMBL6161257

Cc1cc(N)c([N+](=O)[O-])cc1NC(C)N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
TSHR P16473 4/20 0.44
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 5/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TDP1 Q9NUW8 5/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MCL1 Q07820 1/20 0.38
HCAR3 P49019 1/20 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
Bromide SCHEMBL10714875 0.97 MAPT (0.46) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL126467 0.86 MAPT (0.54) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL11054235 0.84 MAPT (0.51) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL10715172 0.83 MAPT (0.47) MAPTTSHRALDH1A1CYP3A4RECQL
Hydrochloric Acid SCHEMBL10713402 0.82 MAPT (0.46) MAPTTSHRALDH1A1CYP3A4CYP1A2
SCHEMBL2472285 0.80 TSHR (0.49) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL2834177 0.79 MAPT (0.47) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL10620260 0.78 ALDH1A1 (0.41) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL11054352 0.76 MAPT (0.49) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL11219818 0.75 TSHR (0.59) MAPTTSHRALDH1A1CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531738-B2 Two-pack type keratinous fiber treating composition KAO CORP (JP) 2005-02-16 EP disclosed
US-6099828-A COMPOSITION THAT CAN MAINTAIN ITS CONDITIONING EFFECT OVER A LONG PERIOD OF TIME; ALSO CONTAINING ACID DYE KAO CORPORATION (JP) 2000-08-08 US disclosed
EP-0884044-A1 HAIRTREATMENT COMPOSITION Kao Corporation (JP) 1998-12-16 EP disclosed
US-5750099-A Two-pack type keratinous fiber treating composition KAO CORPORATION (JP) 1998-05-12 US disclosed
EP-0503507-B1 Dye composition for keratinous fibers KAO CORP (JP) 1997-07-23 EP disclosed
EP-0531738-B1 Two-pack type keratinous fiber treating composition KAO CORP (JP) 1996-11-13 EP disclosed
EP-0529598-B1 Keratinous fiber treating composition KAO CORP (JP) 1996-05-08 EP disclosed
EP-0470381-B1 Hair treatment composition and hair dye composition KAO CORP (JP) 1996-01-10 EP disclosed
EP-0547790-B1 Dye composition for Keratinous fibers KAO CORP (JP) 1995-08-23 EP disclosed
US-5332581-A Dialkylene glycol monoalkyl ether, aromatic alcohol and weak acid KAO CORPORATION (JP) 1994-07-26 US disclosed
US-5254333-A Contains acidic dye, 2-benzyloxyethanol and a water-soluble nonionic polymer; imparts good feeling to hair; safe to hair and skin KAO CORPORATION (JP) 1993-10-19 US disclosed
EP-0547790-A1 Dye composition for Keratinous fibers Kao Corporation (JP) 1993-06-23 EP disclosed
EP-0531738-A2 Two-pack type keratinous fiber treating composition KAO CORPORATION (JP) 1993-03-17 EP disclosed
EP-0529598-A1 Keratinous fiber treating composition KAO CORPORATION (JP) 1993-03-03 EP disclosed
EP-0503507-A1 Dye composition for keratinous fibers Kao Corporation (JP) 1992-09-16 EP disclosed
EP-0470381-A2 Hair treatment composition and hair dye composition Kao Corporation (JP) 1992-02-12 EP disclosed
US-4834768-A HAIR DYES L'OREAL (FR) 1989-05-30 US disclosed
US-4637821-A HAIR, DYEING L'OREAL (FR) 1987-01-20 US disclosed