SCHEMBL8124348

SCHEMBL8124348

C=NN/C=C(\N)C(C)(C)NS(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.47
MMP2 P08253 5/20 0.47
FPR2 P25090 3/20 0.44
PROKR1 Q8TCW9 3/20 0.44
TEAD1 P28347 1/20 0.42
MMP12 P39900 1/20 0.42
RAB9A P51151 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.38
LIPE Q05469 1/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.36
TP53 P04637 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
SCHEMBL5020188 0.83 MMP13 (0.47) MMP13MMP2FPR2PROKR1TEAD1
SCHEMBL6096681 0.71 FPR2 (0.61) MMP13MMP2FPR2PROKR1MMP12
SCHEMBL4788541 0.70 FPR2 (0.48) MMP13MMP2FPR2PROKR1TEAD1
SCHEMBL8777604 0.69 FPR2 (0.48) MMP13MMP2FPR2PROKR1TEAD1
SCHEMBL7398293 0.67 MMP13 (0.55) MMP13MMP2FPR2PROKR1TEAD1
SCHEMBL5020541 0.67 HRH1 (0.47) FPR2PROKR1
SCHEMBL7764828 0.67 MMP13 (0.78) MMP13MMP2FPR2PROKR1TEAD1
SCHEMBL6098249 0.67 FPR2 (0.56) MMP13MMP2FPR2PROKR1TEAD1
SCHEMBL8096418 0.66 FPR2 (0.46) MMP13FPR2PROKR1MMP12RAB9A
SCHEMBL3222147 0.66 EPHX2 (0.58) MMP13MMP2FPR2PROKR1TEAD1

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
WO-2008147764-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2008-12-04 WO disclosed