SCHEMBL8943775

SCHEMBL8943775

O=Cc1cc(OCc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.56
MAOA P21397 3/20 0.56
TLR4 O00206 1/20 0.54
TLR2 O60603 1/20 0.54
BACE1 P56817 1/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
PTGES O14684 1/20 0.44
APP P05067 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
SCHEMBL1646241 0.87 NPC1 (0.58) TLR4TLR2BACE1MEN1ALDH1A1
SCHEMBL6927262 0.87 MAOB (0.56) MAOBMAOATLR4TLR2BACE1
SCHEMBL31053128 0.86 BACE1 (0.61) MAOBMAOATLR4TLR2BACE1
SCHEMBL1646385 0.86 BACE1 (0.61) MAOBMAOATLR4TLR2BACE1
SCHEMBL5096505 0.85 MAOB (0.53) MAOBMAOATLR4TLR2MEN1
SCHEMBL7325804 0.84 MAPT (0.53) MAOBMAOABACE1MAPT
SCHEMBL1647995 0.84 APP (0.47) MAOBMAOATLR4TLR2BACE1
SCHEMBL1578696 0.83 ATM (0.56) MAOBMAOATLR4TLR2MEN1
SCHEMBL8943778 0.82 HSPB1 (0.54) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL1577994 0.81 MAPT (0.52) MAOBMAOATLR4TLR2MEN1

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-5541325-A ENZYME INHIBITORS, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-30 US disclosed