SCHEMBL6923327

SCHEMBL6923327

FC(F)(F)Oc1cccc(Nc2noc3cccnc23)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.69
SGMS2 Q8NHU3 2/20 0.56
SYK P43405 1/20 0.50
SGMS1 Q86VZ5 1/20 0.47
DDR1 Q08345 1/20 0.47
CTSC P53634 1/20 0.47
GRM4 Q14833 2/20 0.45
PIM1 P11309 3/20 0.44
KIT P10721 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
IGF1R P08069 1/20 0.41
GRM5 P41594 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
SCHEMBL14804998 0.91 EPHX2 (0.57) EPHX2SGMS2SYKSGMS1DDR1
SCHEMBL6924124 0.91 EPHX2 (0.57) EPHX2SGMS2SYKSGMS1DDR1
SCHEMBL14805001 0.89 EPHX2 (0.55) EPHX2SGMS2SYKSGMS1DDR1
SCHEMBL2234534 0.86 GRM4 (0.61) EPHX2SGMS2GRM4
SCHEMBL2235274 0.81 EPHX2 (0.74) EPHX2CTSCGRM4EGFR
SCHEMBL14804990 0.81 GRM4 (0.51) EPHX2SGMS2SGMS1GRM4
SCHEMBL6922905 0.80 EPHX2 (0.60) EPHX2SGMS2SGMS1GRM4EGFR
SCHEMBL14804989 0.80 EPHX2 (0.64) EPHX2GRM4
SCHEMBL2235375 0.78 GRM4 (0.58) EPHX2SGMS2SYKSGMS1GRM4
SCHEMBL30754724 0.78 SYK (0.63) EPHX2SGMS2SYKCTSCPIM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916584-B2 Benzisoxazoles and azabenzisoxazoles as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-12-23 US disclosed
WO-2011100614-A1 BENZISOXAZOLES AND AZABENZISOXAZOLES AS mgluR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 WO disclosed