SCHEMBL30689326

SCHEMBL30689326

C=C(Cc1nc(-c2ccc(C(F)(F)c3ccccn3)cc2)no1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ FFAR1 O14842 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ GSTP1 P09211 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30689440 0.87 GSTP1 (0.40) KMT2ALMNAPKMHDAC1HDAC8
SCHEMBL23578443 0.78 TP53 (0.45) LMNAHDAC1HDAC8HDAC2FFAR1
SCHEMBL31527898 0.78 S1PR1 (0.45) KMT2ALMNAPKMHDAC1HDAC8
SCHEMBL30689347 0.77 IP6K1 (0.48) LMNAFFAR1GSTP1ALDH1A1TSHR
SCHEMBL23578418 0.77 SMN1; SMN2 (0.43) LMNAHDAC1HDAC8HDAC2GSTP1
SCHEMBL31527827 0.75 TP53 (0.46) LMNAFFAR1GSTP1MAPTALDH1A1
SCHEMBL30689333 0.75 GSTP1 (0.43) LMNAHDAC1HDAC8HDAC2FFAR1
SCHEMBL23578048 0.75 HDAC2 (0.43) LMNAHDAC1HDAC8HDAC2HDAC4
SCHEMBL25252400 0.75 HDAC8 (0.41) LMNAHDAC1HDAC8HDAC2MAPT
SCHEMBL23578022 0.74 S1PR4 (0.51) HDAC1HDAC8HDAC2FFAR1HDAC4

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
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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