SCHEMBL2321381

SCHEMBL2321381

O=C(NCCCc1ccccc1)Oc1ccc2nc(-c3ccc(Oc4ccccc4C(F)(F)F)cc3)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.55
CHEK2 O96017 2/20 0.51
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL2314369 0.88 CHEK2 (0.57) CHEK2
SCHEMBL3651930 0.86 SCD (0.62) SCDCHEK2
SCHEMBL2321367 0.86 SCD (0.56) SCDCHEK2
SCHEMBL2321480 0.83 CHEK2 (0.62) SCDCHEK2
SCHEMBL2320264 0.83 CHEK2 (0.59) CHEK2MMP2MMP9MMP8
SCHEMBL2317165 0.82 SCD (0.59) SCDCHEK2MMP2MMP9MMP8
SCHEMBL2808586 0.82 MMP2 (0.62) SCDCHEK2MMP2MMP9MMP8
SCHEMBL2313533 0.81 CHEK2 (0.54) CHEK2
SCHEMBL2318557 0.80 SCD (0.81) SCDCHEK2
SCHEMBL2315450 0.80 SCD (0.81) SCDCHEK2

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-2183222-B1 AZOLORAINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICALS CONTAINING THESE COMPOUNDS, AND THE USE THEREOF SANOFI SA (FR) 2011-08-03 EP disclosed