SCHEMBL27469332

SCHEMBL27469332

O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.57
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
HIF1A Q16665 2/20 0.50
CTSB P07858 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 4/20 0.43
CASP6 P55212 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
ERN1 O75460 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
SCHEMBL29533001 0.98 GPR35 (0.59) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL68675 0.98 GPR35 (0.59) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL12491862 0.96 GPR35 (0.57) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL12491863 0.96 GPR35 (0.57) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL28638066 0.85 GPR35 (0.64) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL16974400 0.85 GPR35 (0.60) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL4958698 0.85 GPR35 (0.60) GPR35HPGDSMN1; SMN2TP53TSHR
Benzoic Acid SCHEMBL27723585 0.83 GPR35 (0.49) GPR35TP53TSHRCTSBMAPK1
SCHEMBL145978 0.83 GPR35 (0.67) GPR35HPGDSMN1; SMN2TP53TSHR
SCHEMBL29652066 0.82 GPR35 (0.54) GPR35HPGDSMN1; SMN2TP53TSHR

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
CN-1165521-C Process for preparing 4,6-diamino-m-benzenediol 三井化学株式会社 2004-09-08 CN disclosed
CN-1276369-A Process for preparing 4,6-diamino-m-benzenediol MITSUI CHEMICALS INC (JP) 2000-12-13 CN disclosed