SCHEMBL29827331

SCHEMBL29827331

CC(C)(C)OC(=O)Nc1ccc(Cl)c(C(=O)Nc2ncc(C#Cc3ccccc3)cc2F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.42
▸ SYK P43405 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CSF1R P07333 3/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ EGLN2 Q96KS0 1/20 0.38
▸ MET P08581 1/20 0.37

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
SCHEMBL23273849 1.00 GRM5 (0.42) GRM5SYKSMN1; SMN2MEN1LMNA
SCHEMBL27240046 0.92 MEN1 (0.40) GRM5SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL23287990 0.90 MEN1 (0.39) GRM5SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL27240077 0.89 SMO (0.41) GRM5SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL27240040 0.86 GRM5 (0.41) GRM5SMN1; SMN2MEN1LMNAKMT2A
SCHEMBL27240172 0.85 GRM5 (0.39) GRM5SYKSMN1; SMN2EGFRAURKB
SCHEMBL23287969 0.85 GRM5 (0.45) GRM5SMN1; SMN2CSF1RPPARGNPC1
SCHEMBL27240085 0.85 KDR (0.41) GRM5SYKSMN1; SMN2PDGFRBRXFP1
SCHEMBL23273761 0.84 CSF1R (0.42) GRM5EGFRCSF1R
SCHEMBL27240202 0.84 GRM5 (0.41) GRM5SMN1; SMN2MEN1LMNAKMT2A

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
EP-4048399-A1 INHIBITORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO Pharmaceutical Co., Ltd. (JP) 2022-08-31 — — EP disclosed
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