SCHEMBL2882236

SCHEMBL2882236

Nc1c(CCO)c(Cl)cc([N+](=O)[O-])c1CCO

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
VCAM1 P19320 3/20 0.38
MAPT P10636 3/20 0.37
USP7 Q93009 1/20 0.37
GPR35 Q9HC97 2/20 0.37
PDE7A Q13946 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28271658 0.87 ALDH1A1 (0.44) ALDH1A1CYP3A4VCAM1MAPTUSP7
SCHEMBL7643608 0.80 TSHR (0.46) ALDH1A1CYP3A4VCAM1MAPTUSP7
SCHEMBL198863 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4VCAM1MAPTUSP7
SCHEMBL27752557 0.79 GPR35 (0.45) ALDH1A1MAPTGPR35MEN1KMT2A
SCHEMBL8108409 0.78 ALDH1A1 (0.39) ALDH1A1CYP3A4VCAM1MAPTUSP7
SCHEMBL4592068 0.77 POLB (0.44) ALDH1A1CYP3A4VCAM1MAPTPDE7A
SCHEMBL9650502 0.74 ALDH1A1 (0.46) ALDH1A1CYP3A4VCAM1MAPTUSP7
SCHEMBL5484250 0.73 TSHR (0.44) ALDH1A1CYP3A4MAPTGPR35MEN1
SCHEMBL1743988 0.72 GPR35 (0.45) ALDH1A1CYP3A4MAPTGPR35MEN1
SCHEMBL5352319 0.72 ALDH1A1 (0.43) ALDH1A1CYP3A4VCAM1MAPTUSP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233854-B1 USE FOR DYEING KERATIN FIBRES OF A COMPOUND OF AZOMETHINE TYPE BEARING A PYRAZOLOPYRIDINE UNIT OREAL (FR) 2018-11-21 EP disclosed
CN-106924056-A For the make-up composition of keratin fiber 莱雅公司 2017-07-07 CN disclosed
EP-2170260-A1 AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES L'Oreal (FR) 2010-04-07 EP disclosed
WO-2009000753-A1 AZO DERIVATIVES CONTAINING A PYRAZOLINONE UNIT FOR DYEING KERATIN FIBRES L'OREAL (FR) 2008-12-31 WO disclosed