SCHEMBL6581074

SCHEMBL6581074

O=C(O)c1cc2ccc([N+](=O)[O-])cc2oc1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.79
MAOA P21397 3/20 0.79
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
POLB P06746 1/20 0.60
GPR35 Q9HC97 2/20 0.56
CA1 P00915 1/20 0.56
CA3 P07451 1/20 0.56
TSHR P16473 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CA5B Q9Y2D0 1/20 0.56
SLC16A3 O15427 4/20 0.56
F12 P00748 1/20 0.55

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
SCHEMBL2990682 1.00 MAOB (0.79) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL5717527 0.88 MAOB (1.00) MAOBMAOAMEN1KMT2ACA12
SCHEMBL31672154 0.87 POLB (0.80) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL26987736 0.87 CA12 (0.80) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL2983118 0.83 KDM4E (0.60) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL6578674 0.81 CYP2C19 (0.62) MAOBMAOAMEN1KMT2ACTDSP1
Propene SCHEMBL27951962 0.81 MAOB (0.85) MAOBMAOAMEN1KMT2ACA12
SCHEMBL7163440 0.80 MIF (0.67) MAOBMAOAKMT2ACA12CA9
SCHEMBL1091343 0.80 MAOA (0.51) MAOBMAOAMEN1KMT2ACTDSP1
SCHEMBL27085612 0.79 MIF (0.65) MAOBMAOAMEN1KMT2ACTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192113-A Pleuromutilin derivative and preparation method and application thereof 西华大学 2024-12-27 CN disclosed
EP-1124986-B1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX SA (FR) 2004-05-06 EP disclosed
EP-1124986-A1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS Biomerieux S.A. (FR) 2001-08-22 EP disclosed
WO-2000028073-A1 NITROCOUMARINS FOR DETECTING ALL MICRO-ORGANISMS BIOMERIEUX S.A. (FR) 2000-05-18 WO disclosed