SCHEMBL7466758

SCHEMBL7466758

O=C(NO)[C@@H](NS(=O)(=O)Cc1ccc2sccc2c1)c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MDM2 Q00987 3/20 0.35
CYP2A6 P11509 1/20 0.33
GRM4 Q14833 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ANPEP P15144 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
BACE1 P56817 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL7466761 1.00 MMP2 (0.36) MMP2MMP13MDM2CYP2A6GRM4
SCHEMBL7061656 0.87 MMP2 (0.39) MMP2MMP13CYP2A6ANPEPHDAC3
SCHEMBL6741376 0.87 MMP2 (0.39) MMP2MMP13CYP2A6ANPEPHDAC3
SCHEMBL6740820 0.85 MMP13 (0.43) MMP2MMP13CYP2A6HDAC3HDAC1
SCHEMBL6740817 0.85 MMP13 (0.43) MMP2MMP13CYP2A6HDAC3HDAC1
SCHEMBL6733651 0.85 HDAC4 (0.42) MMP2MMP13CYP2A6ANPEP
SCHEMBL6733654 0.85 HDAC4 (0.42) MMP2MMP13CYP2A6ANPEP
SCHEMBL6739244 0.84 MMP2 (0.39) MMP2MMP13CYP2A6ANPEPHDAC1
SCHEMBL6739240 0.84 MMP2 (0.39) MMP2MMP13CYP2A6ANPEPHDAC1
SCHEMBL6738949 0.83 MEP1B (0.41) MMP2MMP13CYP2A6HDAC1HDAC6

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
EP-1244616-A1 (HETERO)BICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SmithKline Beecham plc (GB) 2002-10-02 EP disclosed
WO-2001047874-A1 (HETERO)BICYCLYMETHANESULFONYLAMINO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-07-05 WO disclosed