SCHEMBL7876386

SCHEMBL7876386

O=[N+]([O-])c1ccc(CBr)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.56
ALDH1A1 P00352 5/20 0.52
TSHR P16473 3/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
CYP1A2 P05177 2/20 0.47
ERN1 O75460 1/20 0.47
GSK3B P49841 1/20 0.44
ALOX15 P16050 2/20 0.44
CTSB P07858 1/20 0.43
TDP1 Q9NUW8 3/20 0.43
HIF1A Q16665 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP3A4 P08684 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL131912 0.85 GPR35 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL83798 0.85 GPR35 (0.60) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL1531285 0.83 GPR35 (0.58) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL1091651 0.83 GPR35 (0.58) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL24407450 0.83 GPR35 (0.50) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL260864 0.82 CYP1A2 (0.47) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL29368452 0.82 CYP1A2 (0.47) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL260847 0.81 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2GAACYP1A2
SCHEMBL6691566 0.81 GPR35 (0.56) GPR35ALDH1A1TSHRHPGDMAPK1
SCHEMBL29617011 0.81 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326179-B1 ENZYMATIC IMMUNOGLOBULIN; FOR USE AS THERAPEUTIC AND DIAGNOSTIC TOOLS IN TREATMENT OF ARTHRITIS, VIRAL DISEASE AND ALZHEIMER'S DISEASE Koentgen, Frank (AU) 2001-12-04 US disclosed