SCHEMBL328398

SCHEMBL328398

CN(CCN(CC(=O)NO)S(=O)(=O)c1cc(F)c(Oc2ccc(Cl)cc2)c(F)c1)CC(=O)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 5/20 0.45
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
MMP1 P03956 4/20 0.39
MMP13 P45452 4/20 0.39
MMP8 P22894 3/20 0.39
MMP7 P09237 2/20 0.39
MMP12 P39900 2/20 0.39
MEP1B Q16820 1/20 0.39
BMP1 P13497 1/20 0.38
MMP9 P14780 2/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
ADRB2 P07550 1/20 0.37
ADAM17 P78536 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6852329 0.90 ALDH1A1 (0.41) ALDH1A1RAB9AMMP9MMP2ADRB2
SCHEMBL6865083 0.87 MMP1 (0.48) MMP3MMP1MMP13MMP8MMP7
SCHEMBL328390 0.86 MMP1 (0.43) MMP3MMP1MMP13MMP8MMP7
SCHEMBL328407 0.86 MMP1 (0.43) MMP3MMP1MMP13MMP8MMP7
SCHEMBL10067177 0.86 MMP3 (0.44) MMP3ALDH1A1RAB9AMMP1MMP13
SCHEMBL328552 0.84 MMP1 (0.45) MMP3ALDH1A1MMP1MMP13MMP8
SCHEMBL6863112 0.83 MMP1 (0.42) MMP3MMP1MMP13MMP8MMP7
SCHEMBL328649 0.83 MMP1 (0.44) MMP3MMP1MMP13MMP8MMP7
SCHEMBL6863812 0.83 MMP3 (0.52) MMP3MMP1MMP13MMP8MMP7
SCHEMBL10067178 0.83 MMP3 (0.50) MMP3

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