SCHEMBL328652

SCHEMBL328652

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.40
FLT3 P36888 3/20 0.39
SCN9A Q15858 1/20 0.38
ROCK1 Q13464 2/20 0.37
MMP3 P08254 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MMP7 P09237 1/20 0.35
MMP12 P39900 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL6851665 0.91 P2RX7 (0.41) P2RX7FLT3SCN9AROCK1ROCK2
SCHEMBL328654 0.88 MMP3 (0.36) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328545 0.85 HDAC6 (0.47) MMP3TDP1MMP1MMP8MMP13
SCHEMBL328494 0.84 MMP13 (0.38) MMP3TDP1MMP1MMP8MMP13
SCHEMBL6863163 0.82 MMP1 (0.44) MMP3MMP1MMP8MMP13MMP7
SCHEMBL328493 0.82 TDP1 (0.44) MMP3TDP1MMP1MMP8MMP13
SCHEMBL328649 0.81 MMP1 (0.44) MMP3MMP1MMP8MMP13MMP7
SCHEMBL6864397 0.80 MMP1 (0.44) MMP3MMP1MMP8MMP13MMP7
SCHEMBL6850285 0.80 MMP13 (0.41) MMP3TDP1MMP1MMP8MMP13
SCHEMBL6863154 0.79 MMP1 (0.40) MMP3TDP1MMP1MMP8MMP13

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-2428509-A1 Human adam-10 inhibitors Symphony Evolution, Inc. (US) 2012-03-14 EP disclosed