SCHEMBL8958497

SCHEMBL8958497

Cc1nc(NC(=O)C2CC2Cc2ccc(-c3ccccc3)c(C#N)c2)c([N+](=O)[O-])c(C)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
GRM5 P41594 1/20 0.36
TP53 P04637 1/20 0.36
XDH P47989 2/20 0.35
ALDH1A1 P00352 3/20 0.34
DGAT1 O75907 1/20 0.34
WNT3A P56704 1/20 0.34
BCL2 P10415 1/20 0.34
MCL1 Q07820 1/20 0.34
MAP4K1 Q92918 2/20 0.33
HTT P42858 2/20 0.33
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
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GSK3A P49840 1/20 0.31

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
SCHEMBL8958623 0.91 LMNA (0.36) LMNAGRM5TP53XDHALDH1A1
SCHEMBL8873694 0.91 LMNA (0.35) LMNATP53ALDH1A1BCL2MCL1
SCHEMBL8958388 0.88 WNT3A (0.37) GRM5XDHWNT3ABCL2MCL1
SCHEMBL8958444 0.85 WNT3A (0.37) GRM5XDHWNT3ABCL2MCL1
SCHEMBL8872711 0.81 LMNA (0.35) LMNATP53ALDH1A1DGAT1BCL2
SCHEMBL8879293 0.80 SLC6A3 (0.38) ALDH1A1
SCHEMBL8958405 0.80 ADORA1 (0.37) LMNAGRM5TP53XDHALDH1A1
SCHEMBL8872938 0.79 ABL1 (0.38) BCL2MCL1MAP4K1KDM4EGSK3A
SCHEMBL8872985 0.78 ABL1 (0.37) GRM5TP53MAP4K1KDM4EGSK3A
SCHEMBL8949946 0.77 ABL1 (0.39) MAP4K1KDM4EGSK3AGSK3B

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