SCHEMBL6151785

SCHEMBL6151785

O=[N+]([O-])c1cc(N(CCO)CCO)ccc1NCCCn1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
TSHR P16473 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
CYP19A1 P11511 1/20 0.48
POLB P06746 2/20 0.45
QPCT Q16769 4/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6151779 0.89 CYP19A1 (0.50) ALDH1A1TSHRTDP1CYP19A1POLB
SCHEMBL198602 0.82 ALDH1A1 (0.85) ALDH1A1TSHRTDP1POLBMAPT
SCHEMBL30808004 0.82 ALDH1A1 (0.85) ALDH1A1TSHRTDP1POLBMAPT
SCHEMBL6151420 0.81 ALDH1A1 (0.62) ALDH1A1TSHRTDP1POLBMAPT
Hydrochloric Acid SCHEMBL9820092 0.81 ALDH1A1 (0.83) ALDH1A1TSHRTDP1POLBMAPT
SCHEMBL5718214 0.80 ALDH1A1 (0.49) ALDH1A1CYP19A1QPCTMAOAMAOB
SCHEMBL9940645 0.80 MAPT (0.54) ALDH1A1CYP19A1POLBQPCTMAPT
SCHEMBL8655630 0.80 ALDH1A1 (0.81) ALDH1A1TSHRTDP1POLBMAPT
SCHEMBL29829407 0.79 ALDH1A1 (1.00) ALDH1A1TSHRTDP1POLBMAPT
SCHEMBL109266 0.79 ALDH1A1 (1.00) ALDH1A1TSHRTDP1POLBMAPT

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