SCHEMBL31283545

SCHEMBL31283545

COC1(c2ncc(Br)s2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
SCD5 Q86SK9 1/20 0.38
ACACB O00763 5/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
RORC P51449 1/20 0.36
POLB P06746 1/20 0.35
NR1H2 P55055 1/20 0.35
SPR P35270 1/20 0.35
USP30 Q70CQ3 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL31284851 0.93 PDE4A (0.39) CYP11B2ACACBPDE4APDE4BPDE4C
SCHEMBL31284013 0.84 CYP11B2 (0.37) CYP11B2SCD5ACACBPDE4APDE4B
SCHEMBL31283605 0.84 CYP11B2 (0.41) CYP11B2SCD5ACACBPIK3R1PIK3CA
SCHEMBL31283570 0.84 SYK (0.42) CYP11B2SCD5ACACBPIK3R1PIK3CA
SCHEMBL12879367 0.81 GPR119 (0.41) CYP11B2ACACBPOLBGPR119HDAC1
SCHEMBL12879359 0.81 POLB (0.40) CYP11B2ACACBPOLBGPR119
SCHEMBL31284125 0.81 SCD5 (0.40) CYP11B2SCD5RORCNR1H2USP30
SCHEMBL31283618 0.80 ACACB (0.35) CYP11B2SCD5ACACBPDE4APDE4B
SCHEMBL2035683 0.78 HPGD (0.38) POLBUSP30GPR119
SCHEMBL31283733 0.78 DGAT1 (0.43) CYP11B2SCD5ACACBPDE4APDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731216-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS Augustine Therapeutics (BE) 2026-04-29 EP disclosed
WO-2024261329-A1 HETEROARYL-AMINE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed
WO-2024261327-A1 2-(HETEROARYL-THIO)-1-(HETEROARYL)ETHANONE COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2024-12-26 WO disclosed