SCHEMBL16794856

SCHEMBL16794856

CCOC(=O)n1c2ccc(F)cc2c2[nH]c(=O)c(C)c(-c3cccc(I)c3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
GLA P06280 1/20 0.37
ELANE P08246 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
NTRK1 P04629 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GALR2 O43603 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
PTGDR2 Q9Y5Y4 3/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
CSF1R P07333 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
SCHEMBL16794891 0.90 NTRK1 (0.41) LMNAGLAL3MBTL1NTRK1SMN1; SMN2
SCHEMBL16814655 0.81 ALDH1A1 (0.44) LMNAGLAELANEL3MBTL1NTRK1
SCHEMBL16794889 0.75 NTRK1 (0.40) L3MBTL1NTRK1KMT2AALDH1A1MEN1
SCHEMBL16794840 0.75 NTRK1 (0.43) LMNAGLAELANEL3MBTL1NTRK1
SCHEMBL16794922 0.74 MMP2 (0.36) LMNANTRK1SMN1; SMN2KDM4EKMT2A
SCHEMBL16794875 0.73 NTRK1 (0.37) ELANEL3MBTL1NTRK1SMN1; SMN2KDM4E
SCHEMBL16794967 0.72 NTRK1 (0.48) LMNAGLAL3MBTL1NTRK1SMN1; SMN2
SCHEMBL16794832 0.70 GABRP (0.39) LMNAGLAL3MBTL1GSK3BKDM4E
SCHEMBL16794921 0.68 LMNA (0.37) LMNAL3MBTL1SMN1; SMN2KDM4EMAPT
SCHEMBL16794835 0.68 CSF1R (0.50) LMNAL3MBTL1SMN1; SMN2KDM4EHTT

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-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed