SCHEMBL1910596

SCHEMBL1910596

Nc1ccc(F)c(-c2nc(C(=O)O)ccc2F)c1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIM2 Q9P1W9 12/20 0.35
PIM1 P11309 11/20 0.35
PIM3 Q86V86 11/20 0.35
MGAM O43451 1/20 0.34
KEAP1 Q14145 1/20 0.34
KMT2A Q03164 2/20 0.32
KDM5A P29375 1/20 0.32
JMJD1C Q15652 1/20 0.32
KDM3A Q9Y4C1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 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
SCHEMBL320431 0.82 MAPT (0.37) KDM4EPIM2PIM1PIM3KMT2A
SCHEMBL1711977 0.81 PIM1 (0.44) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL318608 0.80 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29533318 0.80 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL319604 0.79 XDH (0.36) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12077498 0.78 MGAM (0.35) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12488326 0.78 ECE1 (0.34) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1711990 0.78 KDM4E (0.53) KDM4EALOX15PIM2PIM1PIM3
SCHEMBL29599851 0.78 KDM4E (0.53) KDM4EALOX15PIM2PIM1PIM3
SCHEMBL319715 0.77 MYC (0.38) KDM4EALOX15TSHRACMSDTDP1

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-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed