SCHEMBL8624433

SCHEMBL8624433

O=C1COc2cc([N+](=O)[O-])ccc2N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.51
SLC5A2 P31639 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
CASP1 P29466 1/20 0.46
CASP3 P42574 1/20 0.46
CASP4 P49662 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
CASP6 P55212 1/20 0.46
CASP8 Q14790 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
BRD4 O60885 1/20 0.45
TERT O14746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SCN9A Q15858 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
SCHEMBL27376595 0.93 CASP1 (0.56) SLC5A1SLC5A2L3MBTL1CASP1CASP3
SCHEMBL6471926 0.90 PIK3CG (0.48) SLC5A1SLC5A2L3MBTL1CASP1CASP3
SCHEMBL27377925 0.87 SLC5A1 (0.48) SLC5A1SLC5A2L3MBTL1CASP1CASP3
SCHEMBL8553880 0.87 L3MBTL1 (0.64) SLC5A1SLC5A2L3MBTL1ALDH1A1MAPT
SCHEMBL30806670 0.85 PIK3CG (0.48) SLC5A1SLC5A2L3MBTL1CASP1CASP3
SCHEMBL27378218 0.85 PIK3CG (0.48) SLC5A1SLC5A2L3MBTL1CASP1CASP3
SCHEMBL282621 0.85 TERT (0.44) SLC5A1SLC5A2CASP1CASP3CASP4
SCHEMBL8130592 0.84 TERT (0.48) SLC5A1SLC5A2CASP1CASP3CASP4
SCHEMBL10048208 0.84 SLC5A1 (0.65) SLC5A1SLC5A2L3MBTL1
SCHEMBL8557086 0.83 TSHR (0.67) SLC5A1SLC5A2L3MBTL1CASP1CASP3

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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed