SCHEMBL28239608

SCHEMBL28239608

Cc1c(O)c(N)cc([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.59
CA9 Q16790 5/20 0.54
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
NSD2 O96028 1/20 0.54
GAA P10253 1/20 0.54
PLCG1 P19174 1/20 0.54
DNMT1 P26358 1/20 0.54
CASP6 P55212 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 3/20 0.50
CA4 P22748 1/20 0.47
TSHR P16473 1/20 0.47
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44

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
Hydrochloric Acid SCHEMBL27931552 0.98 GPR35 (0.58) GPR35CA9CA12CA1CA2
SCHEMBL9500870 0.86 GPR35 (0.68) GPR35CA9CA12CA1CA2
SCHEMBL12193494 0.81 GPR35 (0.53) GPR35CA9CA12CA1CA2
SCHEMBL8024018 0.81 GPR35 (0.74) GPR35CA9CA12CA1CA2
SCHEMBL3500607 0.81 GPR35 (0.57) GPR35CA9CA12CA1CA2
SCHEMBL5472172 0.80 GPR35 (0.63) GPR35CA9CA12CA1CA2
SCHEMBL5006299 0.77 TSHR (0.52) GPR35GAAALDH1A1TSHRCYP3A4
SCHEMBL9310524 0.76 GPR35 (0.69) GPR35CA9CA12CA1CA2
SCHEMBL18124 0.74 GPR35 (1.00) GPR35CA9CA12CA1CA2
SCHEMBL29375698 0.74 GPR35 (1.00) GPR35CA9CA12CA1CA2

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-108384007-A One birdss of the same feather flock together hydroxyl to phenylene first Benzo-dioxazole polymer, monomer and its preparation and application 金宁人 2018-08-10 CN disclosed