SCHEMBL27291369

SCHEMBL27291369

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ ACACB O00763 1/20 0.42
▸ ACACA Q13085 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ GSTP1 P09211 2/20 0.39
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL27291368 0.87 ACACB (0.39) MITFTP53NCOA3ACACBACACA
SCHEMBL23578433 0.87 ACACB (0.57) MITFTP53NCOA3ACACBACACA
SCHEMBL23588141 0.82 GSTP1 (0.43) MITFTP53NCOA3ACACBACACA
SCHEMBL23588172 0.82 TDP1 (0.50) MAPTHTTLMNAFFAR1GSTP1
SCHEMBL29844146 0.82 TDP1 (0.50) MAPTHTTLMNAFFAR1GSTP1
SCHEMBL23578438 0.82 ACACB (0.64) MITFTP53NCOA3ACACBACACA
SCHEMBL27291464 0.81 NPC1 (0.41) MITFTP53NCOA3ACACBACACA
SCHEMBL29844119 0.80 SPHK2 (0.49) —
SCHEMBL23588193 0.80 SPHK2 (0.49) —
SCHEMBL30689438 0.79 LMNA (0.51) MITFTP53NCOA3MAPTNPC1

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
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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