SCHEMBL5313191

SCHEMBL5313191

O=C(O)c1ccc(C2CCC(C(=O)c3ccncc3C(F)(F)F)CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ASPH Q12797 1/20 0.40
KDM4C Q9H3R0 6/20 0.39
DHODH Q02127 4/20 0.37
ELANE P08246 1/20 0.36
MAPT P10636 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RBP4 P02753 4/20 0.35
ABL1 P00519 1/20 0.34
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5313055 0.87 KDM4E (0.52) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5310745 0.82 KDM4E (0.49) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5329482 0.81 KDM4E (0.48) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1585290 0.75 KDM4E (0.83) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5334708 0.75 RBP4 (0.42) ASPHKDM4CDHODHELANEMAPT
SCHEMBL5307458 0.74 DPP4 (0.41) L3MBTL1DHODH
SCHEMBL5313178 0.73 LMNA (0.44) KDM4EHTTELANEMAPTGSK3A
SCHEMBL5307816 0.72 HCRTR1 (0.43)
SCHEMBL5313034 0.72 MGLL (0.45) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5311601 0.72 PTGES (0.44) KDM4EGLAHTTKMT2ASMN1; SMN2

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-2007044085-A2 HETEROARYL COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-19 WO disclosed