SCHEMBL8958731

SCHEMBL8958731

CCCC(=O)N(Cc1ccc(-c2ccccc2)c(C#N)c1)c1nc(C)c(Cl)c(C)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.36
LTB4R2 Q9NPC1 4/20 0.36
DGAT1 O75907 1/20 0.35
NR1H4 Q96RI1 4/20 0.35
POLB P06746 2/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
POLQ O75417 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 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
SCHEMBL8958402 0.91 XDH (0.36) XDHLTB4R2DGAT1NR1H4POLB
SCHEMBL8873063 0.90 LTB4R2 (0.40) LTB4R2POLB
SCHEMBL8958619 0.87 NR1H4 (0.40) XDHNR1H4
SCHEMBL8872445 0.86 LTB4R2 (0.45) LTB4R2
SCHEMBL8958538 0.84 LTB4R2 (0.35) XDHLTB4R2NR1H4FFAR4GRM5
SCHEMBL8872878 0.81 LTB4R2 (0.40) LTB4R2POLB
SCHEMBL8958490 0.79 NR1H4 (0.40) XDHNR1H4
SCHEMBL8872011 0.77 LTB4R2 (0.40) LTB4R2NR1H4
SCHEMBL8872708 0.77 OXTR (0.37) NR1H4POLBKDM4EALDH1A1HPGD
SCHEMBL8873498 0.77 LTB4R2 (0.41) LTB4R2ALDH1A1

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