SCHEMBL8700259

SCHEMBL8700259

N=C(N)NOS(=O)(=O)CC(=O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
STS P08842 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
PBRM1 Q86U86 1/20 0.41
CTSL P07711 2/20 0.40
HSD11B1 P28845 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
ITGA1 P56199 3/20 0.39
CTSK P43235 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL27334381 0.88 MAPT (0.44) L3MBTL1TDP1CA1CA2HSD11B1
SCHEMBL27360533 0.88 HSD11B1 (0.38) L3MBTL1TDP1CA1CA2HSD11B1
SCHEMBL8705533 0.79 AOC2 (0.51) L3MBTL1TDP1
SCHEMBL8704323 0.77 EGFR (0.40)
SCHEMBL8699108 0.76 SERPINE1 (0.39) CA1CA2F2CA9
SCHEMBL8705507 0.76 PTGS1 (0.36) F2F10
SCHEMBL27501518 0.76 ASH1L (0.52)
SCHEMBL27379215 0.75 ERCC5 (0.34) CA1CA2F2F10CA9
SCHEMBL27380654 0.75 HSD17B1 (0.39) HSD11B1F10
SCHEMBL27383233 0.75 F10 (0.34) CA1CA2HSD11B1F2F10

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