SCHEMBL6151634

SCHEMBL6151634

Cc1cc(N)c([N+](=O)[O-])cc1NCCBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.43
KAT2B Q92831 4/20 0.42
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CDK2 P24941 1/20 0.37

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
SCHEMBL11056141 0.87 MAPT (0.54) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL112790 0.87 MAPT (0.54) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL30808005 0.87 MAPT (0.54) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL111935 0.85 MAPT (0.52) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL29391950 0.85 MAPT (0.52) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL11056017 0.84 KAT2B (0.60) MAPTALDH1A1LMNAKAT2BTDP1
Bromide SCHEMBL10714879 0.84 MAPT (0.51) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL9498147 0.83 ALDH1A1 (0.48) MAPTALDH1A1LMNAKAT2BCYP3A4
SCHEMBL11054352 0.83 MAPT (0.49) MAPTALDH1A1LMNACYP3A4TSHR
SCHEMBL11059627 0.83 MAPT (0.50) MAPTALDH1A1LMNAKAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 EP disclosed
US-6464731-B1 1-(3-(4-AMINO-2-CHLORO-5-NITROPHENYLAMINO)PROPYL)-3-METHYL-3H -IMIDAZOL-1-IUM BROMIDE USED AS DIRECT HAIR DYES; SOLUBILITY AND PHOTOSTABILITY L'OREAL S.A. (FR) 2002-10-15 US disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 EP disclosed