SCHEMBL9479697

SCHEMBL9479697

O=[N+]([O-])c1cc(Br)c(O)c(Br)c1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.39
ERN1 O75460 1/20 0.37
GPR35 Q9HC97 5/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
TTR P02766 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 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 0.83 FBP1 (0.48) ALDH1A1TSHRMAPTCYP2C9HIF1A
SCHEMBL9477137 0.82 CA12 (0.40) SNCAERN1GPR35CA12CA1
SCHEMBL9478488 0.81 CYP1A2 (0.43) SNCAERN1GPR35CA12CA1
SCHEMBL9781173 0.77 GPR35 (0.45) SNCAERN1GPR35CA12CA1
SCHEMBL28424080 0.73 GPR35 (0.44) GPR35CA12CA1CA2CA9
SCHEMBL5041177 0.73 CYP1A2 (0.59) SNCAERN1GPR35CA12CA1
SCHEMBL27752557 0.72 GPR35 (0.45) GPR35CA12CA1CA2CA9
SCHEMBL1743988 0.72 GPR35 (0.45) ERN1GPR35CA12CA1CA2
SCHEMBL95482 0.72 ALDH1A1 (0.53) GPR35CA1CA2ALDH1A1KDM4E
SCHEMBL10716436 0.72 ALDH1A1 (0.43) SNCAGPR35ALDH1A1KDM4ETSHR

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