SCHEMBL9743157

SCHEMBL9743157

O=[N+]([O-])c1cc(O)c(O)c(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.75
MEN1 O00255 3/20 0.75
KMT2A Q03164 3/20 0.75
ALDH1A1 P00352 3/20 0.75
HPGD P15428 2/20 0.75
MAPK1 P28482 2/20 0.75
KDM4E B2RXH2 1/20 0.75
TTR P02766 1/20 0.75
CYP1A2 P05177 1/20 0.75
MAPT P10636 1/20 0.75
CYP2C9 P11712 1/20 0.75
ALOX15 P16050 1/20 0.75
ALOX12 P18054 1/20 0.75
RECQL P46063 1/20 0.75
PMP22 Q01453 1/20 0.75
HIF1A Q16665 1/20 0.75
HSD17B10 Q99714 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
HTT P42858 2/20 0.60
LMNA P02545 1/20 0.60

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
3,5-Dinitrocatechol (Or-486) SCHEMBL1283419 0.86 GPR35 (1.00) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL17132338 0.84 ALDH1A1 (0.62) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL10639224 0.84 GPR35 (0.69) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL69972 0.84 GPR35 (0.69) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL28009106 0.83 GPR35 (0.67) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL13834333 0.82 GPR35 (0.59) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL11683169 0.81 ERN1 (0.68) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL856551 0.81 ALDH1A1 (0.58) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL4756022 0.81 ERN1 (0.63) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL12776832 0.81 GPR35 (0.58) GPR35MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109616629-A A kind of benefit lithium positive electrode active materials, positive electrode, lithium ion battery and its preparation and application 中南大学 2019-04-12 CN disclosed
US-9623046-B2 Amphiphilic Janus-dendrimers THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2017-04-18 US disclosed
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed
US-4418037-A PYROGALLOL DERIVATIVE STORAGE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1983-11-29 US disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed