SCHEMBL27375482

SCHEMBL27375482

CC(C)(C)OC(=O)NCc1cc(F)cc(-c2ccsc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.42
▸ CTSK P43235 3/20 0.40
▸ CTSS P25774 2/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ KDM4A O75164 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ PTPRB P23467 1/20 0.36
▸ GLS O94925 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL30751360 1.00 GRM2 (0.42) GRM2CTSKCTSSDYRK1AKDM4A
SCHEMBL27377234 0.82 GRM2 (0.37) GRM2CTSKCTSSDYRK1AL3MBTL1
SCHEMBL30751308 0.82 GRM2 (0.37) GRM2CTSKCTSSDYRK1AL3MBTL1
SCHEMBL12791343 0.81 GRM2 (0.46) GRM2CTSKCTSSKDM4AHDAC1
SCHEMBL30751445 0.81 GRM2 (0.41) GRM2DYRK1AKDM4AHDAC1L3MBTL1
SCHEMBL27375434 0.81 GRM2 (0.41) GRM2DYRK1AKDM4AHDAC1L3MBTL1
SCHEMBL27375848 0.79 GRM2 (0.42) GRM2CTSKCTSSDYRK1AKDM4A
SCHEMBL30751378 0.79 GRM2 (0.42) GRM2CTSKCTSSDYRK1AKDM4A
SCHEMBL16410213 0.77 HDAC1 (0.48) GRM2CTSKCTSSHDAC1BRD4
SCHEMBL30751397 0.77 ROCK2 (0.49) GRM2DYRK1AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 — — WO disclosed
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