SCHEMBL8699108

SCHEMBL8699108

N=C(N)NOS(=O)(=O)CC(=O)c1cccc(-c2ccoc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
HDAC2 Q92769 1/20 0.38
CNR1 P21554 1/20 0.37
ERCC5 P28715 2/20 0.35
FEN1 P39748 2/20 0.35
CNR2 P34972 1/20 0.35
HDAC1 Q13547 1/20 0.35
TRIM24 O15164 1/20 0.34
MAPK14 Q16539 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
MMP12 P39900 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 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
SCHEMBL8703824 0.83 KAT6A (0.46) ERCC5FEN1F2PLGPLAU
SCHEMBL27452727 0.80 KAT6A (0.33) ERCC5FEN1PRSS1PRSS2PRSS3
SCHEMBL27379215 0.78 ERCC5 (0.34) HDAC2ERCC5FEN1HDAC1CA12
SCHEMBL8700435 0.77 KAT6A (0.32) PRSS1PRSS2PRSS3
SCHEMBL27476255 0.77 KAT6A (0.33) PRSS1PRSS2PRSS3F2
SCHEMBL27334381 0.76 MAPT (0.44) ERCC5FEN1HDAC1CA12CA1
SCHEMBL8700259 0.76 L3MBTL1 (0.46) CA1CA2CA9F2
SCHEMBL27380654 0.76 HSD17B1 (0.39) CNR1HDAC1PRSS1
SCHEMBL27383233 0.76 F10 (0.34) ERCC5FEN1CA12CA1CA2
SCHEMBL8705533 0.76 AOC2 (0.51)

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