SCHEMBL28580966

SCHEMBL28580966

CCOc1c(O)c([N+](=O)[O-])cc([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.50
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
KDM4C Q9H3R0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 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
SCHEMBL28589280 0.93 GPR35 (0.47) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL27662134 0.89 MAPT (0.48) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL12817224 0.86 GPR35 (0.49) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL31148932 0.86 GPR35 (0.49) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL28283679 0.85 MAPT (0.48) GPR35MAPTALDH1A1LMNAKMT2A
Nitrophenolate SCHEMBL28626257 0.77 MAPT (0.41) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL8680003 0.76 GPR35 (0.54) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL304765 0.76 TDP1 (0.49) GPR35MAPTALDH1A1LMNAKMT2A
SCHEMBL8373830 0.75 KMT2A (0.53) MAPTALDH1A1LMNAKMT2AMEN1
Methane SCHEMBL28154632 0.75 TPMT (0.43) GPR35MAPTALDH1A1LMNAKMT2A

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-112320766-B Preparation method and application of hollow mesoporous inorganic oxide nanosphere solid alkali 西南大学 2023-10-27 CN disclosed
CN-112320766-A Preparation method and application of hollow mesoporous inorganic oxide nanosphere solid base 西南大学 2021-02-05 CN disclosed