SCHEMBL20176614

SCHEMBL20176614

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nccc(Cl)c2C(=N)I)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ANO1 Q5XXA6 1/20 0.44
▸ USP30 Q70CQ3 5/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ BTK Q06187 2/20 0.42
▸ PIM1 P11309 2/20 0.42
▸ PIM2 Q9P1W9 2/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL21598927 0.82 POLB (0.50) ANO1USP30CNR1CNR2BTK
SCHEMBL16177328 0.82 POLB (0.50) ANO1USP30CNR1CNR2BTK
SCHEMBL16177330 0.82 POLB (0.50) ANO1USP30CNR1CNR2BTK
SCHEMBL21386781 0.82 BTK (0.50) USP30BTKPIK3CDJAK3
SCHEMBL22909230 0.82 BTK (0.50) USP30BTKPIK3CDJAK3
SCHEMBL21599048 0.82 ANO1 (0.47) ANO1USP30CNR1CNR2BTK
SCHEMBL31227197 0.80 BTK (0.47) ANO1USP30CNR1CNR2BTK
SCHEMBL16187368 0.79 USP30 (0.50) USP30BTKPIM1PIM2PIK3CD
SCHEMBL31227063 0.79 ANO1 (0.45) ANO1USP30CNR1CNR2BTK
SCHEMBL31227974 0.79 BTK (0.45) ANO1USP30CNR1CNR2BTK

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-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 — — WO disclosed
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