SCHEMBL8955807

SCHEMBL8955807

O=[N+]([O-])[CH]c1[c]c([N+](=O)[O-])ccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
FBP1 P09467 3/20 0.33
VCP P55072 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GPR35 Q9HC97 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NFE2L2 Q16236 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL58486 0.79 TSHR (0.46) HSP90AA1LMNATSHRTDP1ALDH1A1
SCHEMBL261451 0.74 TDP1 (0.45) LMNATSHRTDP1ALDH1A1GPR35
SCHEMBL41321 0.69 GPR35 (0.45) LMNATSHRTDP1ALDH1A1GPR35
SCHEMBL2350187 0.69 TSHR (0.38) HSP90AA1LMNATSHRTDP1FBP1
SCHEMBL6310965 0.69 TSHR (0.38) HSP90AA1LMNATSHRTDP1FBP1
SCHEMBL27356489 0.69 ALDH1A1 (0.41) LMNATSHRTDP1ALDH1A1GPR35
SCHEMBL3317507 0.69 ALDH1A1 (0.41) HSP90AA1LMNATSHRTDP1ALDH1A1
SCHEMBL15226034 0.68 FBP1 (0.36) HSP90AA1LMNAFBP1ALDH1A1GAA
SCHEMBL27587715 0.68 CA2 (0.43) LMNATSHRTDP1ALDH1A1GAA
SCHEMBL9047649 0.65 TDP1 (0.36) LMNATSHRTDP1ALDH1A1GPR35

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
EP-0448923-B1 Method and apparatus for detecting biological activities in a specimen AVL PHOTRONICS CORP (US) 1996-01-03 EP claimed