SCHEMBL23287986

SCHEMBL23287986

CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Cc2cnc(C#Cc3ccccc3)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.38
▸ ACSS2 Q9NR19 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ RORC P51449 3/20 0.35
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ MAPKAPK2 P49137 2/20 0.34
▸ EGFR P00533 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ GLS O94925 1/20 0.34

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
SCHEMBL27240244 0.78 GRM5 (0.42) GRM5ACSS2SYKRORCMEN1
SCHEMBL29827331 0.78 GRM5 (0.42) GRM5SYKMAPKAPK2EGFRAURKB
SCHEMBL23273849 0.78 GRM5 (0.42) GRM5SYKMAPKAPK2EGFRAURKB
SCHEMBL27240040 0.76 GRM5 (0.41) GRM5RORCMEN1LMNAKMT2A
SCHEMBL23288026 0.75 GRM5 (0.44) GRM5RORCMAPKAPK2
SCHEMBL27240202 0.75 GRM5 (0.41) GRM5MAPKAPK2MEN1LMNAKMT2A
SCHEMBL27240046 0.74 MEN1 (0.40) GRM5MAPKAPK2MEN1LMNAKMT2A
SCHEMBL23287990 0.73 MEN1 (0.39) GRM5MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL27240259 0.73 GRM5 (0.38) GRM5RORCMEN1LMNAKMT2A
SCHEMBL27240067 0.72 LCK (0.41) GRM5MEN1LMNAKMT2ASMN1; SMN2

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-2021080013-A1 INHIBITORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2021-04-29 — — WO disclosed
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