SCHEMBL20028899

SCHEMBL20028899

CC(C)(C)OC(=O)N1CCC[C@](F)(c2nc3ncc(Br)cc3[nH]2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.41
ACACB O00763 6/20 0.40
ALDH1A1 P00352 1/20 0.38
PRMT5 O14744 1/20 0.38
CYP11B2 P19099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 1/20 0.35
USP1 O94782 1/20 0.35
NAMPT P43490 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
PIK3R1 P27986 2/20 0.34
PIK3CA P42336 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
SCHEMBL28779051 0.85 USP30 (0.42) USP30ACACBCYP11B2NAMPTPIK3R1
SCHEMBL20029038 0.80 USP30 (0.68) USP30
SCHEMBL20029043 0.80 USP30 (0.68) USP30
SCHEMBL20028847 0.76 USP30 (0.46) USP30CYP11B2RORCPIK3R1PIK3CA
SCHEMBL23929001 0.73 NAMPT (0.47) ACACBALDH1A1NAMPTIDO1
SCHEMBL19458932 0.72 RORC (0.52) USP30RORC
SCHEMBL19462755 0.72 RORC (0.52) USP30RORC
SCHEMBL20028863 0.72 USP30 (0.62) USP30
SCHEMBL22873696 0.72 ACACB (0.49) USP30ACACBNAMPT
SCHEMBL22776786 0.71 IDO1 (0.48) ALDH1A1PRMT5SMN1; SMN2IDO1

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-3519397-B1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2021-05-19 EP disclosed
WO-2018060691-A1 CYANO-SUBTITUTED HETEROCYCLES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed