SCHEMBL30689401

SCHEMBL30689401

C=C(Cc1nc(-c2ccc(Oc3ccccn3)cc2C(F)(F)F)no1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 1/20 0.44
▸ NTRK1 P04629 1/20 0.39
▸ AKR1B1 P15121 1/20 0.38
▸ IP6K1 Q92551 2/20 0.38
▸ IP6K3 Q96PC2 2/20 0.38
▸ IP6K2 Q9UHH9 2/20 0.38
▸ SCN7A Q01118 4/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN8A Q9UQD0 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ GSTP1 P09211 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL31527931 0.88 MAPT (0.42) AKR1B1IP6K1IP6K3IP6K2SCN7A
SCHEMBL31527956 0.86 GSTP1 (0.43) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL31527877 0.86 GSTP1 (0.44) DRD1IP6K1IP6K3IP6K2SCN7A
SCHEMBL30689305 0.86 IP6K1 (0.38) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL30689444 0.84 SCN7A (0.38) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL30689347 0.82 IP6K1 (0.48) IP6K1IP6K3IP6K2FFAR1GSTP1
SCHEMBL30689359 0.81 IP6K1 (0.39) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL30689405 0.79 MAPT (0.36) AKR1B1IP6K1IP6K3IP6K2MAPT
SCHEMBL30689293 0.77 DRD1 (0.38) DRD1KCNH2SCN5AGSTP1SCN9A
SCHEMBL30689399 0.77 MAPT (0.39) MAPTFFAR1GSTP1MEN1ALDH1A1

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 4 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 claimed
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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