SCHEMBL8375628

SCHEMBL8375628

O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])c(O)cc2F)c(F)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.56
GPR35 Q9HC97 4/20 0.43
MAPK1 P28482 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TTR P02766 4/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 3/20 0.43
CYP2C9 P11712 3/20 0.43
HIF1A Q16665 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALOX12 P18054 2/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
RECQL P46063 2/20 0.43
PMP22 Q01453 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL310541 0.87 SNCA (0.46) SNCAGPR35MAPK1ALDH1A1HSD17B10
SCHEMBL15797126 0.84 XDH (0.44) SNCAGPR35MAPK1ALDH1A1HSD17B10
SCHEMBL518140 0.82 GPR35 (0.50) SNCAGPR35MAPK1ALDH1A1HSD17B10
SCHEMBL2326899 0.80 TDP1 (0.50) SNCAGPR35MAPK1ALDH1A1HSD17B10
SCHEMBL30031583 0.80 TDP1 (0.50) SNCAGPR35MAPK1ALDH1A1HSD17B10
SCHEMBL7976613 0.78 PDGFRB (0.51) SNCAMAPK1ALDH1A1TTRALOX15
SCHEMBL8067566 0.76 MAPK1 (0.52) GPR35MAPK1ALDH1A1HSD17B10TTR
SCHEMBL744876 0.76 TDP1 (0.46) SNCAGPR35MAPK1ALDH1A1HSD17B10
SCHEMBL309964 0.76 GPR35 (0.48) GPR35MAPK1ALDH1A1HSD17B10TTR
SCHEMBL309310 0.76 ALDH1A1 (0.49) GPR35MAPK1ALDH1A1HSD17B10TTR

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
US-5977413-A Method for producing bis(3-amino-4-hydroxyphenyl) compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0895985-A2 Method for producing bis(3-amino-4-hydroxyphenyl) compounds Nippon Kayaku Kabushiki Kaisha (JP) 1999-02-10 EP disclosed