SCHEMBL27291368

SCHEMBL27291368

C=C(Cc1nc(-c2ccc(OCCCC)nc2)no1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GSTP1 P09211 3/20 0.36
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL23588077 0.88 ACACB (0.52) ACACBACACAMITFTP53NCOA3
SCHEMBL27291369 0.87 MITF (0.43) ACACBACACAMITFTP53NCOA3
SCHEMBL29973428 0.84 GSTP1 (0.40) ACACBACACATP53MAPTGSTP1
SCHEMBL23578220 0.84 GSTP1 (0.40) ACACBACACATP53MAPTGSTP1
SCHEMBL31707540 0.82 ACACB (0.38) ACACBACACAMITFTP53NCOA3
SCHEMBL23588102 0.82 SPHK1 (0.48) TP53HDAC6MAPTNPC1RAB9A
SCHEMBL23588271 0.81 SPHK1 (0.53) —
SCHEMBL30689312 0.80 FPR2 (0.43) MAPTSMN1; SMN2GSTP1
SCHEMBL25802137 0.79 MAPT (0.50) HDAC1HDAC8MAPTSMN1; SMN2
SCHEMBL23588349 0.79 TP53 (0.41) TP53HDAC1HDAC8NPC1RAB9A

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-4634167-A1 SUBSTITUTED PYRIDINES FOR USE IN TREATING OR PREVENTING INFLAMMATORY DISEASES OR DISEASES ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2025-10-22 — — EP disclosed
WO-2024127030-A1 SUBSTITUTED PYRIDINES FOR USE IN TREATING OR PREVENTING INFLAMMATORY DISEASES OR DISEASES ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2024-06-20 — — WO disclosed
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