SCHEMBL18358191

SCHEMBL18358191

Cc1nc(C(=O)O)ccc1NC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HCAR3 P49019 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
PTGFR P43088 1/20 0.39
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MMP2 P08253 1/20 0.37
MGAM O43451 1/20 0.37
LMNA P02545 1/20 0.37
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
ASPH Q12797 1/20 0.35
RIOX2 Q8IUF8 1/20 0.35
KDM8 Q8N371 1/20 0.35
IDO1 P14902 1/20 0.35
KDM5A P29375 1/20 0.34

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
SCHEMBL701941 0.71 KDM4E (0.60) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL12858096 0.71 HCAR3 (0.36) KDM4EL3MBTL1HCAR3TDP1ALOX15
SCHEMBL18358199 0.71 NR4A2 (0.41) TDP1MAPTIDO1
SCHEMBL31480604 0.70 KDM4E (0.62) KDM4EHCAR3TDP1ALOX15TSHR
SCHEMBL25487645 0.70 KDM4E (0.62) KDM4EHCAR3TDP1ALOX15TSHR
SCHEMBL23530075 0.70 GABRP (0.62) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL14919050 0.70 KDM4E (0.58) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL1424972 0.69 KDM4E (0.49) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL11894355 0.69 KDM4E (0.67) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL1425108 0.68 KDM4E (0.56) KDM4EL3MBTL1TDP1ALOX15TSHR

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-2017004608-A1 OXADIAZOLE MODULATORS OF S1P METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed