SCHEMBL4372950

SCHEMBL4372950

O=C(NO)[C@@H](CN1CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
MMP1 P03956 4/20 0.42
MMP13 P45452 4/20 0.42
MMP2 P08253 4/20 0.42
MMP3 P08254 4/20 0.42
MMP9 P14780 2/20 0.42
MMP14 P50281 2/20 0.42
MME P08473 1/20 0.42
ADAM17 P78536 1/20 0.42
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SCN9A Q15858 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL3880329 0.81 MMP13 (0.39) MAPK1MMP1MMP13MMP2MMP3
SCHEMBL1803718 0.78 ADAM17 (0.39) MAPK1MMP1MMP2MMP9MMP14
SCHEMBL3870206 0.78 ALDH1A1 (0.43) MAPK1MMP1MMP13MMP2MMP3
SCHEMBL1798436 0.77 ADAMTS7 (0.46) MMP13SCN9A
SCHEMBL1798439 0.77 ADAMTS7 (0.46) MMP13SCN9A
SCHEMBL1798308 0.77 MMP1 (0.49) MMP1MMP13MMP2MMP3MMP9
SCHEMBL1798306 0.77 MMP1 (0.49) MMP1MMP13MMP2MMP3MMP9
SCHEMBL1801848 0.76 MAPK1 (0.47) MAPK1ALDH1A1SCN9AKMT2ALMNA
SCHEMBL1796851 0.76 ADAM17 (0.59) MMP1MMP2MMP9MMP14ADAM17
SCHEMBL4370904 0.74 ADAM17 (0.51) MMP1MMP2MMP9MMP14ADAM17

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 disclosed