SCHEMBL31494452

SCHEMBL31494452

Clc1ccc(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 7/20 0.44
▸ TSHR P16473 2/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL31494388 0.87 MAPT (0.54) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL31494404 0.84 MAPT (0.44) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL27218792 0.83 CA12 (0.48) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL27218901 0.80 RAB9A (0.44) MAPK1MAPTTSHRSMN1; SMN2MEN1
SCHEMBL31494432 0.78 GAA (0.53) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL27218716 0.78 SMN1; SMN2 (0.56) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL31494422 0.78 RAB9A (0.55) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL31494444 0.77 MAPT (0.47) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL27218679 0.77 MAPT (0.52) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2
SCHEMBL27218943 0.77 POLB (0.52) MAPK1L3MBTL1MAPTTSHRSMN1; SMN2

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-4232448-B1 AGONISTS OF FREE FATTY ACID RECEPTOR 1 AND THEIR USE IN DISEASES ASSOCIATED WITH SAID RECEPTOR Halo Therapeutics Ltd (GB) 2025-05-07 — — EP disclosed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 — — EP disclosed
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