SCHEMBL7968977

SCHEMBL7968977

Cc1cc(-c2ccc(C3(c4cccc([N+](=O)[O-])c4)OC(=O)C(O)=C3O)cc2)c2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ELANE P08246 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7971973 0.82 GPR84 (0.39) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL7968952 0.78 KDM4E (0.38) MAOBCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7968407 0.74 POLB (0.46) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL7972384 0.73 KDM4E (0.35) MAOBMAPTALDH1A1MEN1KMT2A
SCHEMBL6026174 0.69 ESR2 (0.40) MAOBMAPTALDH1A1TDP1MEN1
SCHEMBL6026268 0.69 CFTR (0.39) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL7956293 0.69 TLR8 (0.39) MAOBCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL7972386 0.68 MAPT (0.40) MAPTALDH1A1THRBMEN1KMT2A
SCHEMBL7966269 0.68 LMNA (0.40) MAOBMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL7972422 0.67 GPR84 (0.39) MAOBMAPTALDH1A1TDP1KMT2A

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed