SCHEMBL7900525

SCHEMBL7900525

O=[N+]([O-])c1cccc(/C=N\O)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
ERN1 O75460 1/20 0.49
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 7/20 0.44
KMT2A Q03164 5/20 0.44
HTT P42858 2/20 0.44
CA12 O43570 1/20 0.44
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
APAF1 O14727 1/20 0.43
ATM Q13315 1/20 0.43
SAE1 Q9UBE0 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
SCHEMBL7900527 1.00 GPR35 (0.53) GPR35ERN1TSHRL3MBTL1MAPT
SCHEMBL700769 0.84 CA12 (0.60) L3MBTL1MAPTKMT2ACA12MEN1
SCHEMBL413681 0.84 CA12 (0.60) L3MBTL1MAPTKMT2ACA12MEN1
SCHEMBL700770 0.84 CA12 (0.60) L3MBTL1MAPTKMT2ACA12MEN1
SCHEMBL27963506 0.83 ERN1 (0.49) GPR35ERN1L3MBTL1MAPTKMT2A
SCHEMBL5593393 0.81 ALDH1A1 (0.58) TSHRL3MBTL1MAPTKMT2AMEN1
SCHEMBL3073529 0.81 ERN1 (0.47) GPR35ERN1L3MBTL1MAPTKMT2A
SCHEMBL3073532 0.81 ERN1 (0.47) GPR35ERN1L3MBTL1MAPTKMT2A
SCHEMBL13674723 0.78 MEN1 (0.56) GPR35L3MBTL1MAPTKMT2AHTT
SCHEMBL196088 0.78 ERN1 (0.65) GPR35ERN1TSHRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed