SCHEMBL4602866

SCHEMBL4602866

C#CCOc1c(F)cc(C(=O)NC2(C)CCCCC2)c(C)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
ANO1 Q5XXA6 3/20 0.32
CNR2 P34972 1/20 0.32
SCN9A Q15858 2/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KAT6A Q92794 1/20 0.31
TP53 P04637 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 1/20 0.30
P2RX3 P56373 1/20 0.30
P2RX2 Q9UBL9 1/20 0.30

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
SCHEMBL3797362 0.86 NR4A1 (0.32) NR4A1NR4A2DHODHKMT2A
SCHEMBL4244884 0.83 CTSK (0.40) NR4A1NR4A2DHODHANO1CNR2
SCHEMBL4603970 0.79 SCN9A (0.33) SCN9AKAT6A
SCHEMBL4603987 0.78 P2RX7 (0.38) TP53KMT2AP2RX7
SCHEMBL4618468 0.76 KAT6A (0.35) NR4A1NR4A2DHODHKAT6AKMT2A
SCHEMBL4603743 0.75 TAS1R3 (0.46)
SCHEMBL4248762 0.74 CTSK (0.44) ANO1CNR2CTSLCTSSCTSK
SCHEMBL12850756 0.73 TP53 (0.52) TP53KMT2AP2RX3
SCHEMBL2296086 0.73 P2RX7 (0.53) P2RX7
SCHEMBL4249769 0.73 TP53 (0.43) CTSLCTSSCTSKTP53P2RX3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940780-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2007049728-A1 AMIDE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-03 WO disclosed