SCHEMBL31527971

SCHEMBL31527971

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 2/20 0.38
▸ IP6K3 Q96PC2 2/20 0.38
▸ IP6K2 Q9UHH9 2/20 0.38
▸ PPARG P37231 1/20 0.37
▸ SCN7A Q01118 5/20 0.35
▸ KCNH2 Q12809 5/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ SCN2A Q99250 1/20 0.34
▸ SCN8A Q9UQD0 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ EGLN1 Q9GZT9 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
SCHEMBL31527878 0.88 DRD1 (0.42) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL31527880 0.87 IP6K1 (0.39) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL31527934 0.87 IP6K1 (0.39) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL30689444 0.79 SCN7A (0.38) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL30689433 0.79 IP6K1 (0.39) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL30689344 0.78 NOTUM (0.40) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL30689395 0.76 PTGS2 (0.39) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL31528000 0.75 PDE4D (0.39) IP6K1IP6K3IP6K2DHODHRXRA
SCHEMBL30689406 0.74 RAB9A (0.39) IP6K1IP6K3IP6K2PPARGSCN7A
SCHEMBL31527917 0.74 PDE4D (0.40) IP6K1IP6K3IP6K2RXRARXRB

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-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
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