SCHEMBL16319244

SCHEMBL16319244

Fc1cc(C=Cc2ccccc2F)ccn1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 16/20 0.56
GRM4 Q14833 1/20 0.50
RELA Q04206 2/20 0.46
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16319242 1.00 NFE2L2 (0.56) NFE2L2GRM4RELAKDM4ENPC1
SCHEMBL7970832 0.83 LOXL2 (0.45) NFE2L2GRM4NPC1SMN1; SMN2
SCHEMBL7970830 0.83 LOXL2 (0.45) NFE2L2GRM4NPC1SMN1; SMN2
SCHEMBL2879571 0.74 NFE2L2 (0.52) NFE2L2GRM4
SCHEMBL20995878 0.74 NFE2L2 (0.67) NFE2L2RELARAB9A
SCHEMBL2879570 0.74 NFE2L2 (0.52) NFE2L2GRM4
SCHEMBL20995876 0.74 NFE2L2 (0.67) NFE2L2RELARAB9A
SCHEMBL3264395 0.74 NQO2 (0.56) NPC1RAB9A
SCHEMBL2234105 0.74 NFE2L2 (1.00) NFE2L2GRM4RELAKDM4ENPC1
SCHEMBL14401252 0.73 NFE2L2 (1.00) NFE2L2RELANPC1PKMNFKB1

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-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed