SCHEMBL8958734

SCHEMBL8958734

CCC(Cc1ccc(-c2ccccc2)c(C#N)c1)C(=O)Nc1nc(C)c(Cl)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
GRM5 P41594 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MRE11 P49959 1/20 0.36
XDH P47989 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.35
DGAT1 O75907 1/20 0.35
WNT3A P56704 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 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
SCHEMBL8958405 0.91 ADORA1 (0.37) ADORA1ADORA2AGRM5LMNATP53
SCHEMBL8873067 0.91 MME (0.37) ADORA1ADORA2ALMNATP53ALDH1A1
SCHEMBL8958543 0.85 WNT3A (0.38) ADORA1ADORA2AGRM5LMNATP53
SCHEMBL8872452 0.84 MME (0.36) LMNATP53ALDH1A1HTTPPARG
SCHEMBL8872885 0.81 MME (0.37) ADORA1ADORA2ALMNATP53ALDH1A1
SCHEMBL8958623 0.80 LMNA (0.36) GRM5LMNATP53XDHCYP1A2
SCHEMBL8872016 0.79 MME (0.37) ADORA1ADORA2APPARG
SCHEMBL8873500 0.78 MME (0.38) ADORA1ADORA2AGRM5TP53PPARG
SCHEMBL8873617 0.76 MME (0.37) ADORA1ADORA2AGRM5PPARG
SCHEMBL8958731 0.76 XDH (0.36) GRM5XDHCYP1A2CYP2C9CYP2C19

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