SCHEMBL9478488

SCHEMBL9478488

O=C(O)Cc1c([N+](=O)[O-])cc(Br)c(O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
SNCA P37840 1/20 0.39
ERN1 O75460 1/20 0.37
GPR35 Q9HC97 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FBP1 P09467 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
GALK1 P51570 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TTR P02766 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
SCHEMBL9478518 0.86 FBP1 (0.48) FBP1
SCHEMBL9479697 0.81 SNCA (0.39) CYP1A2SNCAERN1GPR35CA12
SCHEMBL9117601 0.78 F11 (0.46) GPR35CA1CA2POLBBLM
SCHEMBL9781173 0.77 GPR35 (0.45) CYP1A2SNCAERN1GPR35CRHBP
SCHEMBL9477137 0.76 CA12 (0.40) CYP1A2SNCAERN1GPR35CA12
SCHEMBL9476644 0.75 TTR (0.38) GPR35CA1CA2TTR
SCHEMBL5041177 0.73 CYP1A2 (0.59) CYP1A2SNCAERN1GPR35CA12
SCHEMBL6036336 0.72 CYP1A2 (0.44) CYP1A2SNCAGPR35CA12CA1
SCHEMBL9292425 0.72 CYP1A2 (0.64) CYP1A2GPR35CA1CA2MEN1
SCHEMBL11211745 0.71 GPR35 (0.52) CYP1A2ERN1GPR35CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204242-A Coupling component for colorimetric analysis of detection of oxidative coupling reaction; peroxide or peroxidase or aromatic amine detection BOEHRINGER MANNHEIM GMBH (DE) 1993-04-20 US disclosed
EP-0476608-A1 Substituted phenols Roche Diagnostics GmbH (DE) 1992-03-25 EP disclosed