SCHEMBL28777971

SCHEMBL28777971

O=[N+]([O-])c1c(O)cc(O)c([N+](=O)[O-])c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
S100A4 P26447 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TTR P02766 1/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 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
SCHEMBL11441634 0.86 GPR35 (0.48) GPR35ALDH1A1MEN1KMT2AHPGD
Potassium SCHEMBL30132361 0.84 GPR35 (0.47) GPR35ALDH1A1MEN1KMT2AHPGD
Barium SCHEMBL30109419 0.84 GPR35 (0.47) GPR35ALDH1A1MEN1KMT2AHPGD
SCHEMBL71098 0.84 GPR35 (0.45) GPR35ALDH1A1MEN1KMT2AHPGD
SCHEMBL31221855 0.84 GPR35 (0.47) GPR35ALDH1A1MEN1KMT2AHPGD
SCHEMBL29363584 0.84 GPR35 (0.47) GPR35ALDH1A1MEN1KMT2AHPGD
Barium SCHEMBL30109420 0.84 GPR35 (0.47) GPR35ALDH1A1MEN1KMT2AHPGD
Water SCHEMBL30132405 0.83 GPR35 (0.46) GPR35ALDH1A1MEN1KMT2AHPGD
SCHEMBL9617118 0.81 CA1 (0.51) GPR35ALDH1A1MEN1KMT2AHPGD
SCHEMBL156116 0.81 KDM4E (0.46) GPR35ALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120288879-A Method for treating wastewater containing nitric acid, sulfuric acid and nitrophenol energetic compounds 山西北化关铝化工有限公司 2025-07-11 CN disclosed
CN-114583262-B Electrolyte and lithium ion battery 比亚迪股份有限公司 2024-10-11 CN disclosed
CN-112320766-B Preparation method and application of hollow mesoporous inorganic oxide nanosphere solid alkali 西南大学 2023-10-27 CN disclosed
CN-114583262-A Electrolyte and lithium ion battery 比亚迪股份有限公司 2022-06-03 CN disclosed