SCHEMBL8991408

SCHEMBL8991408

O=C(O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.79
MAOA P21397 1/20 0.79
PLA2G4B P0C869 1/20 0.63
NR4A2 P43354 3/20 0.63
RXRA P19793 1/20 0.63
RXRB P28702 1/20 0.63
RXRG P48443 1/20 0.63
MAPT P10636 2/20 0.63
RAB9A P51151 2/20 0.63
ALDH1A1 P00352 1/20 0.63
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
KMT2A Q03164 1/20 0.62
NR4A1 P22736 1/20 0.61
NR4A3 Q92570 1/20 0.61
CYP19A1 P11511 1/20 0.61
CYP11B1 P15538 1/20 0.61
CYP11B2 P19099 1/20 0.61
FFAR1 O14842 1/20 0.60
TP53 P04637 1/20 0.59

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
SCHEMBL11265703 0.88 MAOB (0.79) MAOBMAOANR4A2RAB9ATP53
SCHEMBL28317001 0.87 MAOB (0.79) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL17554366 0.86 MAOB (0.73) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL28232014 0.86 MAOB (0.73) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL6599866 0.86 MAOB (0.68) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL3499926 0.85 MAOB (0.69) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL12533265 0.83 MAOB (0.66) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL17560021 0.83 MAOB (0.70) MAOBMAOAMAPTRAB9AALDH1A1
SCHEMBL15282049 0.83 PLA2G4B (0.87) MAOBPLA2G4BNR4A2RXRARXRB
SCHEMBL851521 0.82 MAOB (0.58) MAOBMAOAMAPTRAB9AALDH1A1

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-5529998-A ANTIBACTERIAL MEDICAMENTS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
CN-1122803-A Benzoxazolyl- and benzothiazolyloxazolidinones BAYER AG (DE) 1996-05-22 CN disclosed