SCHEMBL4372267

SCHEMBL4372267

N=C(N)NCCC[C@@H](NO)C(=O)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 3/20 0.43
MCL1 Q07820 3/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
MMP2 P08253 3/20 0.41
MMP9 P14780 3/20 0.41
ADAM17 P78536 3/20 0.41
ADAM10 O14672 2/20 0.41
ADAM8 P78325 2/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MMP1 P03956 7/20 0.40
MMP13 P45452 6/20 0.40
TARS1 P26639 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ADAMTS1 Q9UHI8 1/20 0.40
ADAMTS7 Q9UKP4 1/20 0.40

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
SCHEMBL6472806 0.91 TARS1 (0.50) BCL2L1MCL1MMP2MMP9ADAM17
SCHEMBL4377322 0.86 ADAM17 (0.56) MMP2MMP9ADAM17ADAM10ADAM8
SCHEMBL4374935 0.84 BCL2L1 (0.47) BCL2L1MCL1MMP2MMP9MMP12
SCHEMBL4372036 0.82 SCN9A (0.41) BCL2L1MCL1MMP2MMP9ADAM17
SCHEMBL4370904 0.77 ADAM17 (0.51) MMP2MMP9ADAM17ADAM10ADAM8
SCHEMBL1799177 0.77 BMP1 (0.58) MMP2MMP9ADAM17ADAM10ADAM8
SCHEMBL1799334 0.76 ADAM17 (0.50) MMP2MMP9ADAM17ADAM10ADAM8
SCHEMBL14470899 0.76 ADAM17 (0.50) MMP2MMP9ADAM17ADAM10ADAM8
SCHEMBL1800831 0.76 ADAM17 (0.50) MMP2MMP9ADAM17ADAM10ADAM8
SCHEMBL1801064 0.75 MMP2 (0.49) MMP2MMP9ADAM17ADAM10ADAM8

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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed