SCHEMBL28579659

SCHEMBL28579659

CC(C)(C)OC(=O)N1CCC(NC(=O)c2c[nH]c3cc(Br)ccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.52
▸ PARP1 P09874 2/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ FPR3 P25089 1/20 0.46
▸ FPR2 P25090 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BTK Q06187 1/20 0.43

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
SCHEMBL23534299 0.82 L3MBTL1 (0.49) USP30PARP1MEN1ALDH1A1KMT2A
SCHEMBL28581769 0.82 L3MBTL1 (0.52) USP30PARP1MEN1ALDH1A1KMT2A
SCHEMBL28923421 0.81 USP30 (0.56) USP30PARP1MEN1ALDH1A1KMT2A
SCHEMBL25192922 0.81 USP30 (0.56) USP30PARP1MEN1ALDH1A1KMT2A
SCHEMBL12127425 0.81 KDM4E (0.49) USP30ALDH1A1KDM4EFPR2POLB
SCHEMBL29176342 0.80 KMT2A (0.55) MEN1ALDH1A1KMT2APOLBMAPT
SCHEMBL25206972 0.79 USP30 (0.52) USP30PARP1MEN1KMT2AFPR3
SCHEMBL29176340 0.79 ALDH1A1 (0.54) MEN1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL23533928 0.78 USP30 (0.54) USP30PARP1MEN1ALDH1A1KMT2A
SCHEMBL25337397 0.77 BACE1 (0.50) ALDH1A1LMNAMAPT

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
CN-112955450-A Substituted indole and indazole compounds 百时美施贵宝公司 2021-06-11 — — CN disclosed
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