SCHEMBL25319552

SCHEMBL25319552

O=C(O)N1CCCCC1c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.47
RIPK1 Q13546 2/20 0.46
ROCK2 O75116 1/20 0.46
BACE1 P56817 1/20 0.45
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.44
PARP14 Q460N5 2/20 0.44
PARP10 Q53GL7 1/20 0.44
HPGD P15428 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
PDE5A O76074 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL17513396 0.96 SCD5 (0.51) SCD5RIPK1ROCK2KMT2AHSD11B1
SCHEMBL22498217 0.96 SCD5 (0.51) SCD5RIPK1ROCK2KMT2AHSD11B1
SCHEMBL25322785 0.87 RIPK1 (0.45) SCD5RIPK1ROCK2BACE1KMT2A
SCHEMBL28097481 0.84 HSP90AA1 (0.53) RIPK1ROCK2HSD11B1PARP14PARP10
SCHEMBL27574934 0.83 RIPK1 (0.62) SCD5RIPK1BACE1HSD11B1PARP14
SCHEMBL216202 0.83 RIPK1 (0.62) SCD5RIPK1BACE1HSD11B1PARP14
SCHEMBL27574946 0.83 RIPK1 (0.62) SCD5RIPK1BACE1HSD11B1PARP14
SCHEMBL27341297 0.83 PRMT5 (0.49) SCD5RIPK1ROCK2HSD11B1
SCHEMBL6246105 0.83 RIPK1 (0.66) SCD5RIPK1HSD11B1PARP14PARP10
SCHEMBL31578455 0.82 USP30 (0.50) SCD5RIPK1ROCK2KMT2APDE5A

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed