SCHEMBL8958405

SCHEMBL8958405

CCC(Cc1ccc(-c2ccccc2)c(C#N)c1)C(=O)Nc1nc(C)c(Br)c(C)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.37
ADORA2A P29274 2/20 0.37
LMNA P02545 2/20 0.37
GRM5 P41594 1/20 0.37
TP53 P04637 1/20 0.37
MRE11 P49959 1/20 0.36
XDH P47989 2/20 0.36
ALDH1A1 P00352 3/20 0.35
WNT3A P56704 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
DGAT1 O75907 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8958734 0.91 ADORA1 (0.37) ADORA1ADORA2ALMNAGRM5TP53
SCHEMBL8872885 0.91 MME (0.37) ADORA1ADORA2ALMNATP53ALDH1A1
SCHEMBL8958543 0.88 WNT3A (0.38) ADORA1ADORA2ALMNAGRM5TP53
SCHEMBL8872477 0.84 MME (0.36) LMNATP53ALDH1A1HTTGAA
SCHEMBL8873067 0.81 MME (0.37) ADORA1ADORA2ALMNATP53ALDH1A1
SCHEMBL8958497 0.80 LMNA (0.36) LMNAGRM5TP53XDHALDH1A1
SCHEMBL8873617 0.79 MME (0.37) ADORA1ADORA2AGRM5L3MBTL1
SCHEMBL8878811 0.79 BDKRB1 (0.40)
SCHEMBL8873500 0.78 MME (0.38) ADORA1ADORA2AGRM5TP53L3MBTL1
SCHEMBL8872016 0.76 MME (0.37) ADORA1ADORA2AL3MBTL1

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