SCHEMBL28013151

SCHEMBL28013151

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
CTSB P07858 1/20 0.51
ERN1 O75460 1/20 0.49
NOX4 Q9NPH5 1/20 0.47
GSK3B P49841 1/20 0.46
CYP1A2 P05177 1/20 0.45
APP P05067 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
DUSP3 P51452 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 0.86 GPR35 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL1470136 0.84 TSHR (0.55) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL19742690 0.83 GPR35 (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL8709893 0.83 THRB (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL27463698 0.83 SMN1; SMN2 (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL15283303 0.82 ALDH1A1 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL51277 0.82 GPR35 (0.60) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL25287818 0.81 GSK3B (0.45) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL7808995 0.81 GPR35 (0.51) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL5598378 0.81 GSK3B (0.43) GPR35ALDH1A1TP53HPGDTSHR

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
CN-104592365-A Soman antigens, soman vaccines and uses thereof INST PHARM & TOXICOLOGY AMMS 2015-05-06 CN disclosed