SCHEMBL31528000

SCHEMBL31528000

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.39
▸ IP6K1 Q92551 2/20 0.38
▸ IP6K3 Q96PC2 2/20 0.38
▸ IP6K2 Q9UHH9 2/20 0.38
▸ S1PR1 P21453 5/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ SENP8 Q96LD8 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ SENP6 Q9GZR1 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL31527917 0.90 PDE4D (0.40) PDE4DIP6K1IP6K3IP6K2S1PR1
SCHEMBL31527987 0.90 PDE4D (0.38) PDE4DIP6K1IP6K3IP6K2S1PR1
SCHEMBL31527878 0.81 DRD1 (0.42) IP6K1IP6K3IP6K2S1PR1RXRA
SCHEMBL31528053 0.78 TSHR (0.44) TSHRCASP3SENP8SENP7SENP6
SCHEMBL31527880 0.76 IP6K1 (0.39) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527934 0.76 IP6K1 (0.39) IP6K1IP6K3IP6K2RXRARXRB
SCHEMBL31527942 0.75 LMNA (0.42) TSHRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL31527933 0.75 LMNA (0.42) TSHRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31527936 0.75 PPARD (0.46) TSHRMAPTRAB9ALMNAHPGD
SCHEMBL31527971 0.75 IP6K1 (0.38) 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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