SCHEMBL5310745

SCHEMBL5310745

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DHODH Q02127 6/20 0.41
ASPH Q12797 1/20 0.40
RBP4 P02753 2/20 0.36
PTPRB P23467 1/20 0.36
TTR P02766 1/20 0.36

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
SCHEMBL5329482 0.88 KDM4E (0.48) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5309106 0.87 HPGD (0.41) DHODH
SCHEMBL5313055 0.86 KDM4E (0.52) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5307867 0.85 ABL1 (0.41) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5329820 0.82 ADORA2A (0.41) KDM4EKMT2ASMN1; SMN2TDP1L3MBTL1
SCHEMBL5313191 0.82 KDM4E (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1585290 0.74 KDM4E (0.83) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL5311966 0.73 SCD (0.45) KDM4EDHODH
SCHEMBL5315830 0.73 ASPH (0.48) ASPH
SCHEMBL5307458 0.73 DPP4 (0.41) L3MBTL1DHODH

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