SCHEMBL31527880

SCHEMBL31527880

CC(=Cc1nc(-c2ccc(Oc3ccccn3)cc2Cl)no1)C(=O)O

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
▸ SCN7A Q01118 3/20 0.36
▸ KCNH2 Q12809 3/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ GSTP1 P09211 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ NR4A2 P43354 1/20 0.34
▸ RXRG P48443 1/20 0.34

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 0.90 DRD1 (0.42) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL31527934 0.89 IP6K1 (0.39) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL31527971 0.87 IP6K1 (0.38) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL31527917 0.81 PDE4D (0.40) IP6K1IP6K3IP6K2FFAR1NPC1
SCHEMBL31527956 0.77 GSTP1 (0.43) IP6K1IP6K3IP6K2SCN7AKCNH2
SCHEMBL31528000 0.76 PDE4D (0.39) IP6K1IP6K3IP6K2DHODHNPC1
SCHEMBL31527987 0.76 PDE4D (0.38) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527883 0.74 PPARD (0.41) PPARGRAB9ADRD1LMNA
SCHEMBL31528032 0.73 SCN9A (0.44) KCNH2FFAR1NPC1MAPTRAB9A
SCHEMBL31527936 0.72 PPARD (0.46) MAPTRAB9ALMNA

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 1 patent. 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
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