SCHEMBL8699256

SCHEMBL8699256

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.41
ALOX5 P09917 5/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
AOC2 O75106 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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 0.85 AOC2 (0.47) SMN1; SMN2AOC2MEN1KMT2AALDH1A1
SCHEMBL8183727 0.80 AOC2 (0.43) SMN1; SMN2AOC2MAPT
SCHEMBL8704334 0.80 AOC2 (0.43) SMN1; SMN2AOC2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8704321 0.79 AOC2 (0.42) SMN1; SMN2PRSS1PRSS2PRSS3AOC2
Hydrochloric Acid SCHEMBL8704455 0.79 AOC2 (0.42) SMN1; SMN2AOC2MAPT
Hydrochloric Acid SCHEMBL8707259 0.77 AOC2 (0.41) SMN1; SMN2AOC2MEN1KMT2AALDH1A1
SCHEMBL1387889 0.76 CYP3A4 (0.44) SMN1; SMN2CYP3A4TSHRPRSS1PRSS2
SCHEMBL8300855 0.76 AOC2 (0.43) SMN1; SMN2PRSS1PRSS2PRSS3AOC2
SCHEMBL8699717 0.76 AOC2 (0.40) SMN1; SMN2TSHRAOC2MEN1KMT2A
SCHEMBL7826626 0.76 MEN1 (0.48) SMN1; SMN2ALOX5MEN1KMT2AMAPT

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