SCHEMBL14040503

SCHEMBL14040503

O=C1C[C@@H](NS(=O)(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)C(=O)N1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.46
FPR1 P21462 2/20 0.46
GCK P35557 4/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 1/20 0.41
GAA P10253 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
AKR1C3 P42330 1/20 0.39
NOTUM Q6P988 1/20 0.39
HTT P42858 1/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
MMP2 P08253 2/20 0.39
MMP13 P45452 2/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL14040637 1.00 FPR2 (0.46) FPR2FPR1GCKCA2CA9
SCHEMBL4698135 0.71 USP5 (0.44) MMP2MMP13MMP3KMT2A
Bicarbonate SCHEMBL2767431 0.71 MMP14 (0.46) FPR2FPR1GCKCA2CA9
SCHEMBL4698660 0.71 CA2 (0.56) GCKCA2CA9CA12GAA
SCHEMBL6242244 0.69 CA2 (0.54) GCKCA2CA9CA12GAA
SCHEMBL4700945 0.69 CA2 (0.54) GCKCA2CA9CA12GAA
SCHEMBL6058671 0.68 ADAMTS5 (0.50) GCKCA2CA9CA12GAA
SCHEMBL2764220 0.68 ADAMTS5 (0.50) GCKCA2CA9CA12GAA
SCHEMBL2764219 0.68 ADAMTS5 (0.50) GCKCA2CA9CA12GAA
SCHEMBL2156809 0.68 KDM4E (0.55) FPR2FPR1GCKCA2CA9

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-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed