SCHEMBL8699333

SCHEMBL8699333

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 3/20 0.37
MCL1 Q07820 3/20 0.37
CASP6 P55212 2/20 0.37
NPC1 O15118 1/20 0.37
DNMT1 P26358 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 7/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
SERPINE1 P05121 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8183727 0.91 AOC2 (0.43) AOC2L3MBTL1RAB9AMCL1CASP6
SCHEMBL8704334 0.91 AOC2 (0.43) AOC2L3MBTL1RAB9AMCL1CASP6
Hydrochloric Acid SCHEMBL8704455 0.90 AOC2 (0.42) AOC2L3MBTL1RAB9AMCL1CASP6
Hydrochloric Acid SCHEMBL8704321 0.90 AOC2 (0.42) AOC2L3MBTL1RAB9AMCL1CASP6
Hydrochloric Acid SCHEMBL8707259 0.88 AOC2 (0.41) AOC2L3MBTL1RAB9AMCL1CASP6
SCHEMBL8699717 0.87 AOC2 (0.40) AOC2L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL8300855 0.87 AOC2 (0.43) AOC2L3MBTL1RAB9AMCL1CASP6
SCHEMBL8177385 0.86 AOC2 (0.40) AOC2L3MBTL1RAB9AMCL1CASP6
Hydrochloric Acid SCHEMBL8702987 0.86 AOC2 (0.43) AOC2L3MBTL1RAB9AMCL1CASP6
SCHEMBL8701427 0.86 AOC2 (0.40) AOC2L3MBTL1LMNAMEN1KMT2A

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