SCHEMBL8958623

SCHEMBL8958623

Cc1nc(NC(=O)C2CC2Cc2ccc(-c3ccccc3)c(C#N)c2)c([N+](=O)[O-])c(C)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
GRM5 P41594 1/20 0.36
TP53 P04637 1/20 0.36
DGAT1 O75907 1/20 0.36
XDH P47989 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 2/20 0.34
WNT3A P56704 1/20 0.34
MAP4K1 Q92918 2/20 0.33
HTT P42858 2/20 0.33
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL8958497 0.91 LMNA (0.36) LMNAGRM5TP53DGAT1XDH
SCHEMBL8872711 0.91 LMNA (0.35) LMNATP53DGAT1ALDH1A1HTT
SCHEMBL8958444 0.88 WNT3A (0.37) GRM5XDHWNT3AMAP4K1BCL2
SCHEMBL8958388 0.85 WNT3A (0.37) GRM5XDHWNT3AMAP4K1BCL2
SCHEMBL8873694 0.81 LMNA (0.35) LMNATP53ALDH1A1MAP4K1HTT
SCHEMBL8876549 0.80 SLC6A3 (0.39)
SCHEMBL8958734 0.80 ADORA1 (0.37) LMNAGRM5TP53DGAT1XDH
SCHEMBL8872200 0.79 ABL1 (0.38) CYP1A2MAP4K1BCL2MCL1KDM4E
SCHEMBL8872985 0.78 ABL1 (0.37) GRM5TP53CYP1A2MAP4K1KDM4E
SCHEMBL8949946 0.77 ABL1 (0.39) CYP1A2MAP4K1KDM4EGSK3AGSK3B

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