SCHEMBL22820439

SCHEMBL22820439

CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(Br)ccc1C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.46
UCHL1 P09936 2/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 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
SCHEMBL29914412 0.90 USP30 (0.46) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL22820577 0.90 USP30 (0.46) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL13740383 0.85 LMNA (0.48) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL26987927 0.84 USP30 (0.47) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL13154983 0.84 KMT2A (0.45) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL890187 0.84 KMT2A (0.45) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL14757730 0.84 KMT2A (0.45) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL31290628 0.84 USP30 (0.47) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL38652154 0.83 ALDH1A1 (0.44) USP30UCHL1KMT2ANR1H2NR1H3
SCHEMBL29747883 0.81 RIPK1 (0.46) UCHL1KMT2ANPSR1LMNAMAPT

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-2020255022-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND AMINOPYRIDINE DERIVATIVES AS HPK1 INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO disclosed