SCHEMBL4603987

SCHEMBL4603987

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
TP53 P04637 1/20 0.37
SLC6A5 Q9Y345 5/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4604804 0.81 HTR2A (0.35) P2RX7
SCHEMBL4604866 0.80 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL4604028 0.80 ALDH1A1 (0.48) MEN1KMT2A
SCHEMBL4601677 0.78 P2RX7 (0.35) P2RX7TP53
SCHEMBL4602866 0.78 NR4A1 (0.34) P2RX7TP53KMT2A
SCHEMBL3797362 0.75 NR4A1 (0.32) KMT2A
SCHEMBL4248415 0.72 TP53 (0.53) P2RX7TP53SLC6A5
SCHEMBL12850756 0.71 TP53 (0.52) TP53SLC6A5MEN1KMT2AHTT
SCHEMBL4244663 0.70 TP53 (0.58) P2RX7TP53SLC6A5
SCHEMBL4604665 0.69 ALDH1A1 (0.50) MEN1KMT2A

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