SCHEMBL8958543

SCHEMBL8958543

CCC(Cc1ccc(-c2ccccc2)c(C#N)c1)C(=O)Nc1ncc(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.38
ADORA1 P30542 3/20 0.36
ADORA2A P29274 1/20 0.36
GLA P06280 2/20 0.35
GRM5 P41594 1/20 0.35
MRE11 P49959 1/20 0.35
CD274 Q9NZQ7 1/20 0.33
XDH P47989 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.33
CYP19A1 P11511 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL8873617 0.91 MME (0.37) ADORA1ADORA2AGLAGRM5L3MBTL1
SCHEMBL8958405 0.88 ADORA1 (0.37) WNT3AADORA1ADORA2AGRM5MRE11
SCHEMBL8958734 0.85 ADORA1 (0.37) WNT3AADORA1ADORA2AGRM5MRE11
SCHEMBL8872411 0.85 MME (0.36) GLAGRM5L3MBTL1
SCHEMBL8872016 0.82 MME (0.37) ADORA1ADORA2AGLAL3MBTL1
SCHEMBL8958388 0.81 WNT3A (0.37) WNT3AGRM5CD274XDHCYP19A1
SCHEMBL8877163 0.80 BDKRB1 (0.42)
SCHEMBL8872885 0.78 MME (0.37) ADORA1ADORA2AL3MBTL1LMNATP53
SCHEMBL8875663 0.77 BDKRB1 (0.40) ADORA1ADORA2AL3MBTL1
SCHEMBL9088594 0.77 L3MBTL1 (0.39) ADORA1ADORA2AL3MBTL1LMNA

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-5559236-A Intermediates for substituted biphenylmethylmidazopyridine angiotensin II antagonists EISAI CO., LTD. (JP) 1996-09-24 US disclosed