SCHEMBL30689444

SCHEMBL30689444

C=C(Cc1nc(-c2ccc(Oc3ccccn3)cc2C#N)no1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SCN7A Q01118 6/20 0.38
▸ KCNH2 Q12809 6/20 0.38
▸ IP6K1 Q92551 2/20 0.38
▸ IP6K3 Q96PC2 2/20 0.38
▸ IP6K2 Q9UHH9 2/20 0.38
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ GSTP1 P09211 3/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL31527931 0.86 MAPT (0.42) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL31527956 0.86 GSTP1 (0.43) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL31527877 0.86 GSTP1 (0.44) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL30689433 0.85 IP6K1 (0.39) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL30689373 0.85 PPARG (0.39) KCNH2PPARGCNR2CNR1MAPT
SCHEMBL30689344 0.85 NOTUM (0.40) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL30689401 0.84 DRD1 (0.44) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL30689305 0.84 IP6K1 (0.38) SCN7AKCNH2IP6K1IP6K3IP6K2
SCHEMBL30689347 0.82 IP6K1 (0.48) IP6K1IP6K3IP6K2GSTP1FFAR1
SCHEMBL30689395 0.81 PTGS2 (0.39) SCN7AKCNH2IP6K1IP6K3IP6K2

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
Send feedback