SCHEMBL5329482

SCHEMBL5329482

O=C(O)c1ccc(C2CCC(C(=O)c3cc(Cl)ccc3C(F)(F)F)CC2)cn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DHODH Q02127 5/20 0.40
ASPH Q12797 1/20 0.39
LTC4S Q16873 3/20 0.38
CNR2 P34972 1/20 0.36
MGLL Q99685 1/20 0.36
DEGS1 O15121 1/20 0.36
SCD O00767 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
FAAH O00519 1/20 0.35
MAP4K4 O95819 1/20 0.35
ACLY P53396 1/20 0.35

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
SCHEMBL5310745 0.88 KDM4E (0.49) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5313055 0.85 KDM4E (0.52) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5313191 0.81 KDM4E (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5309106 0.78 HPGD (0.41) DHODHSCD
SCHEMBL5307867 0.77 ABL1 (0.41) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5307458 0.74 DPP4 (0.41) L3MBTL1DHODHMGLLSCD
SCHEMBL5329820 0.74 ADORA2A (0.41) KDM4EKMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL1585290 0.74 KDM4E (0.83) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5307816 0.73 HCRTR1 (0.43) SCD
SCHEMBL5311601 0.73 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