SCHEMBL31527987

SCHEMBL31527987

CC(=Cc1nc(-c2ccc(Oc3ccccn3)c(F)c2)no1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.38
▸ IP6K1 Q92551 2/20 0.38
▸ IP6K3 Q96PC2 2/20 0.38
▸ IP6K2 Q9UHH9 2/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ P2RX3 P56373 6/20 0.35
▸ S1PR1 P21453 2/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ BLVRB P30043 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
SCHEMBL31528000 0.90 PDE4D (0.39) PDE4DIP6K1IP6K3IP6K2PDE4A
SCHEMBL31527917 0.89 PDE4D (0.40) PDE4DIP6K1IP6K3IP6K2RXRA
SCHEMBL31527934 0.81 IP6K1 (0.39) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527938 0.77 GSTP1 (0.39) PDE4DIP6K1IP6K3IP6K2FFAR4
SCHEMBL31527878 0.76 DRD1 (0.42) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527880 0.76 IP6K1 (0.39) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527936 0.74 PPARD (0.46) ACACB
SCHEMBL31527971 0.74 IP6K1 (0.38) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527942 0.73 LMNA (0.42) ACACB
SCHEMBL31527933 0.71 LMNA (0.42) ACACB

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
Send feedback