SCHEMBL23028554

SCHEMBL23028554

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc2[nH]cc(Cl)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.37
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
MT-CO2 P00403 1/20 0.34
RAB9A P51151 2/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
MITF O75030 1/20 0.33
PYGL P06737 1/20 0.33
AR P10275 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL29508456 1.00 NR4A2 (0.37) NR4A2F7F3LMNANPSR1
SCHEMBL23013176 0.94 F7 (0.36) NR4A2F7F3LMNANPSR1
SCHEMBL29733568 0.82
SCHEMBL3918289 0.77 GABRA1 (0.54) NR4A2F7F3MEN1KMT2A
SCHEMBL29508438 0.74 MAOA (0.46) NR4A2F7F3NPSR1MAPT
SCHEMBL23028621 0.74 MAOA (0.46) NR4A2F7F3NPSR1MAPT
SCHEMBL29948545 0.73 NPC1 (0.40) LMNAMEN1KMT2AMT-CO2RAB9A
SCHEMBL13389990 0.73 TRPM8 (0.37) MEN1MAPTKMT2ARAB9A
SCHEMBL7220652 0.72 NR4A2 (0.36) NR4A2F7F3LMNAMEN1
SCHEMBL19463917 0.71 MAOA (0.46) MEN1MAPTKMT2A

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-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed