SCHEMBL1848929

SCHEMBL1848929

O=C(OCc1cc2c(F)ccc(Cl)c2s1)c1cc2c(F)ccc(Cl)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
ALDH1A1 P00352 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HSD17B10 Q99714 2/20 0.34
ALOX12 P18054 1/20 0.34
TSHR P16473 1/20 0.34
MRGPRX4 Q96LA9 2/20 0.33
STING1 Q86WV6 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1851435 0.84 HSD17B10 (0.48) KDM4EL3MBTL1ALDH1A1JAK2JAK1
SCHEMBL1853420 0.77 DAO (0.46) ALDH1A1CCNCCDK8LMNA
SCHEMBL1850221 0.75 CYP2A6 (0.33) STING1PKM
SCHEMBL18264010 0.75 HSD17B10 (0.47) KDM4EL3MBTL1ALDH1A1JAK2JAK1
SCHEMBL18264017 0.73 HSD17B10 (0.51) KDM4EL3MBTL1ALDH1A1JAK2JAK1
SCHEMBL1852613 0.73 HSD17B10 (0.39) KDM4EL3MBTL1ALDH1A1JAK2JAK1
SCHEMBL1850208 0.72
SCHEMBL18264005 0.72 HSD17B10 (0.52) KDM4EL3MBTL1ALDH1A1JAK2JAK1
SCHEMBL26622028 0.71 HSD17B10 (0.49) KDM4EL3MBTL1ALDH1A1JAK2JAK1
SCHEMBL1855350 0.69 HSD17B10 (0.47) KDM4EL3MBTL1ALDH1A1JAK2JAK1

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
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed