SCHEMBL8699862

SCHEMBL8699862

CC(=O)c1cccn1-c1cccc(C(=O)NC(=N)N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.42
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
BACE1 P56817 1/20 0.39
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
CHUK O15111 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
CDK1 P06493 1/20 0.38
PIM1 P11309 1/20 0.38

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
Hydrochloric Acid SCHEMBL8701063 0.99 AOC2 (0.41) AOC2F2F10PRSS1PRSS2
SCHEMBL8700313 0.90 AOC2 (0.43) AOC2F2F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8699397 0.88 AOC2 (0.43) AOC2F2F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8705820 0.85 AOC2 (0.42) AOC2F2F10PRSS1PRSS2
SCHEMBL8700691 0.80 AOC2 (0.40) AOC2F2F10PRSS1PRSS2
SCHEMBL8699348 0.80 AOC2 (0.40) AOC2F2F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8700230 0.79 AOC2 (0.39) AOC2F2F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL8700025 0.79 AOC2 (0.40) AOC2F2F10PRSS1PRSS2
SCHEMBL8700634 0.79 F10 (0.45) AOC2F2F10PRSS1PRSS2
SCHEMBL8705516 0.78 AOC2 (0.68) AOC2TDP1CTDSP1L3MBTL1MAPT

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