SCHEMBL8002292

SCHEMBL8002292

Bc1cccc(/C=C/S(=O)(=O)N(c2cccc(C(F)(F)F)c2)S(=O)(=O)/C=C/c2cccc(Br)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
FBP1 P09467 1/20 0.39
PTGES2 Q9H7Z7 6/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
NFE2L2 Q16236 1/20 0.35
HSD17B3 P37058 1/20 0.35
P4HB P07237 1/20 0.33
CA12 O43570 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
SCHEMBL7998811 0.94 LMNA (0.43) LMNAFBP1PTGES2CA1CA2
SCHEMBL8002290 0.82 MAOB (0.47) FBP1PTGES2CA1CA2MAPT
SCHEMBL8004385 0.82 HSD17B3 (0.46) MAPTHSD17B3
SCHEMBL7988653 0.75 MAOB (0.41) LMNAMAPTNFE2L2HSD17B3
SCHEMBL8002639 0.73 NFE2L2 (0.43) FBP1PTGES2MAPTNFE2L2HSD17B3
SCHEMBL8002658 0.73 NFE2L2 (0.45) FBP1NFE2L2
SCHEMBL7998895 0.72 NFE2L2 (0.41) FBP1PTGES2NFE2L2
SCHEMBL8002652 0.72 L3MBTL1 (0.43) LMNAFBP1PTGES2MAPTNFE2L2
SCHEMBL23935305 0.70 HSD17B3 (0.53) MAPTNFE2L2HSD17B3
SCHEMBL11536695 0.67 HSD17B3 (0.55) CA1CA2CA9CA5AMAPT

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
WO-2009120783-A1 HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE THE JOHNS HOPKINS UNIVERSITY (US) 2009-10-01 WO disclosed