SCHEMBL8748916

SCHEMBL8748916

O=[N+]([O-])c1cccc(O)c1NCCO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
GPR35 Q9HC97 2/20 0.52
CXCR2 P25025 1/20 0.50
KCNMA1 Q12791 1/20 0.45
MAPT P10636 6/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ERN1 O75460 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CDK2 P24941 1/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1894247 0.91 GPR35 (0.49) RAB9AGPR35CXCR2KCNMA1MAPT
SCHEMBL3669432 0.90 RAB9A (0.57) RAB9AGPR35MAPTPKMMEN1
SCHEMBL29162289 0.84 RAB9A (0.59) RAB9AGPR35MAPTPKMMEN1
SCHEMBL309307 0.83 RAB9A (0.51) RAB9AGPR35MAPTPKMMEN1
SCHEMBL29566643 0.83 MAPT (0.60) RAB9AGPR35MAPTPKMMEN1
SCHEMBL9501876 0.83 RAB9A (0.51) RAB9AGPR35MAPTPKMMEN1
SCHEMBL3041310 0.83 RAB9A (0.51) RAB9AGPR35MAPTPKMMEN1
SCHEMBL308233 0.83 MAPT (0.60) RAB9AGPR35MAPTPKMMEN1
SCHEMBL27988404 0.83 RAB9A (0.51) RAB9AGPR35MAPTPKMMEN1
SCHEMBL15020230 0.82 GPR35 (0.51) GPR35CXCR2KCNMA1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP claimed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US claimed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP claimed
CN-102481237-A Hair dyeing method KAO CORP 2012-05-30 CN disclosed
EP-0659399-B1 Process of direct hair using steam OREAL (FR) 1997-03-19 EP disclosed
US-5496377-A HAIR DYES, NITRO-AMINE COMPOUNDS L'OREAL (FR) 1996-03-05 US disclosed
EP-0659399-A1 Process of direct hair using steam L'OREAL (FR) 1995-06-28 EP disclosed