SCHEMBL24276958

SCHEMBL24276958

Cc1cc(-c2n[nH]c(CNC(=O)OC(C)(C)C)c2Br)cc(C)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CACNA1H O95180 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ GFER P55789 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EPAS1 Q99814 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ KDM4A O75164 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
SCHEMBL24277079 0.79 CYP1A2 (0.38) KDM4ELMNACACNA1HCACNA1BCACNA1C
SCHEMBL24276959 0.79 KDM4E (0.39) KDM4ELMNACACNA1HCACNA1BCACNA1C
SCHEMBL24276960 0.79 KDM4E (0.41) KDM4ELMNACACNA1HCACNA1BCACNA1C
SCHEMBL5258122 0.68 MAPK14 (0.48) KDM4ELMNACYP1A2GRM2
SCHEMBL18854481 0.67 EPAS1 (0.43) CACNA1HCACNA1BCACNA1CL3MBTL1EPAS1
SCHEMBL7856762 0.66 IDO1 (0.42) KDM4ELMNACYP1A2KDM4AAAK1
SCHEMBL22664604 0.65 RPS6KA1 (0.43) L3MBTL1EPAS1CA12CA1CA2
SCHEMBL31716307 0.65 EPAS1 (0.45) KDM4ELMNACACNA1HCACNA1BCACNA1C
SCHEMBL22664847 0.65 AAK1 (0.45) KDM4ELMNACACNA1HCACNA1BCACNA1C
SCHEMBL17664632 0.65 AAK1 (0.42) KDM4ELMNACACNA1HCACNA1BCACNA1C

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-2022052958-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2022-03-17 — — WO disclosed
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