SCHEMBL4377641

SCHEMBL4377641

N#C/N=C(\N)N(O)C(=O)[C@@H](CCCCN)NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
HPGDS O60760 1/20 0.38
WNT3A P56704 4/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP13 P45452 1/20 0.33
F2 P00734 5/20 0.32
LGMN Q99538 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MLNR O43193 1/20 0.32
SCN9A Q15858 1/20 0.32
F10 P00742 1/20 0.31
TMPRSS6 Q8IU80 1/20 0.31
ST14 Q9Y5Y6 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
SCHEMBL3871098 0.88 HPGDS (0.37) MMP2MMP9HPGDSF2CTSL
SCHEMBL4374530 0.88 MMP2 (0.36) MMP2MMP9HPGDSMMP1MMP3
SCHEMBL4369622 0.86 MMP2 (0.35) MMP2MMP9HPGDSWNT3AMMP1
SCHEMBL1800259 0.85 HPGDS (0.39) MMP2MMP9HPGDSWNT3AMMP1
SCHEMBL1797052 0.83 F2 (0.37) WNT3AF2F10
SCHEMBL4372679 0.80 MMP2 (0.47) MMP2MMP9HPGDSMMP1MMP7
SCHEMBL7174227 0.79 CA2 (0.34) MMP2MMP9HPGDSWNT3AMMP1
SCHEMBL1798298 0.79 ADAM17 (0.41) MMP2MMP9HPGDSMMP1MMP7
SCHEMBL4374481 0.76 MMP2 (0.50) MMP2MMP9MMP1MMP3MMP7
SCHEMBL1800984 0.74 ADAM17 (0.40) MMP2MMP9MMP1MMP7

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