SCHEMBL8699717

SCHEMBL8699717

COC(=O)c1cc(C(=O)NC(=N)N)cc(-n2cccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
NFKB1 P19838 1/20 0.35
XDH P47989 1/20 0.35
GFER P55789 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL8699333 0.87 AOC2 (0.47) AOC2SMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL8707259 0.85 AOC2 (0.41) AOC2SMN1; SMN2ALDH1A1POLBTP53
SCHEMBL8704334 0.85 AOC2 (0.43) AOC2SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL2357788 0.84 CA12 (0.48) AOC2SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL8183727 0.82 AOC2 (0.43) AOC2SMN1; SMN2L3MBTL1GAAMAPT
Hydrochloric Acid SCHEMBL8704074 0.81 SMN1; SMN2 (0.40) AOC2SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL7828377 0.81 CA12 (0.48) AOC2SMN1; SMN2ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL8704455 0.81 AOC2 (0.42) AOC2SMN1; SMN2L3MBTL1GAAMAPT
Hydrochloric Acid SCHEMBL8704321 0.81 AOC2 (0.42) AOC2SMN1; SMN2ALDH1A1L3MBTL1LMNA
SCHEMBL8177385 0.80 AOC2 (0.40) AOC2SMN1; SMN2ALDH1A1KDM4EPOLB

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed