SCHEMBL30689433

SCHEMBL30689433

N#Cc1cc(Oc2ccccn2)ccc1-c1noc(CC(C(=O)O)C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 2/20 0.39
▸ IP6K3 Q96PC2 2/20 0.39
▸ IP6K2 Q9UHH9 2/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PTGS2 P35354 1/20 0.36
▸ SCN7A Q01118 4/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ GRM2 Q14416 1/20 0.35

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
SCHEMBL30689395 0.91 PTGS2 (0.39) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL30689344 0.86 NOTUM (0.40) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL30689444 0.85 SCN7A (0.38) IP6K1IP6K3IP6K2PPARGPTGS2
SCHEMBL30689406 0.81 RAB9A (0.39) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL31527971 0.79 IP6K1 (0.38) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL31527877 0.71 GSTP1 (0.44) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL31527931 0.71 MAPT (0.42) IP6K1IP6K3IP6K2TSHRPPARG
SCHEMBL31527956 0.71 GSTP1 (0.43) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL30689325 0.71 NOTUM (0.42) IP6K1IP6K3IP6K2NPC1RAB9A
SCHEMBL30689305 0.71 IP6K1 (0.38) IP6K1IP6K3IP6K2NPC1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119968366-A Oxadiazole derivatives, methods of preparation and use thereof in the treatment of inflammatory diseases 西特瑞治疗有限公司 2025-05-09 — — CN disclosed
EP-4543875-A1 OXADIAZOLE DERIVATIVES, PREPARATION PROCESS THEREOF AND THEIR USE IN TREATING INFLAMMATORY DISEASES Sitryx Therapeutics Limited (GB) 2025-04-30 — — EP disclosed
WO-2023247958-A1 OXADIAZOLE DERIVATIVES, PREPARATION PROCESS THEREOF AND THEIR USE IN TREATING INFLAMMATORY DISEASES SITRYX THERAPEUTICS LIMITED (GB) 2023-12-28 — — WO disclosed
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