SCHEMBL20045979

SCHEMBL20045979

CC(C)(C)OC(=O)N1CC(N2Cc3ccc(Br)cc3N(CC(N)=O)C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.42
USP30 Q70CQ3 3/20 0.39
NR1H2 P55055 1/20 0.36
NAMPT P43490 1/20 0.36
SCN9A Q15858 1/20 0.35
KRAS P01116 3/20 0.35
ESR2 Q92731 1/20 0.35
RORC P51449 2/20 0.34
HDAC1 Q13547 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
BACE1 P56817 2/20 0.34

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
SCHEMBL20045982 0.86 FPR2 (0.42) FPR2USP30NR1H2NAMPTSCN9A
SCHEMBL20045983 0.80 PIK3CA (0.35) USP30NR1H2NAMPTSCN9AESR2
SCHEMBL30167498 0.75 NAMPT (0.35) FPR2USP30NAMPTBACE1
SCHEMBL30167475 0.75 FPR2 (0.47) FPR2USP30NR1H2NAMPTSCN9A
SCHEMBL31749583 0.74 FPR2 (0.48) FPR2USP30NR1H2NAMPTESR2
SCHEMBL20045530 0.72 USP30 (0.47) FPR2USP30NR1H2NAMPTKRAS
SCHEMBL24187307 0.71 SIGMAR1 (0.49) FPR2USP30NR1H2ESR2RORC
SCHEMBL7144319 0.70 USP30 (0.49) FPR2USP30NR1H2NAMPTESR2
SCHEMBL5359160 0.70 USP30 (0.49) FPR2USP30NR1H2NAMPTESR2
SCHEMBL7144317 0.70 USP30 (0.49) FPR2USP30NR1H2NAMPTESR2

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-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed