SCHEMBL31494427

SCHEMBL31494427

c1ccc2oc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.70
▸ LMNA P02545 3/20 0.70
▸ L3MBTL1 Q9Y468 3/20 0.70
▸ MAPT P10636 3/20 0.70
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ RAB9A P51151 7/20 0.49
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPC1 O15118 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ CHRM2 P08172 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45

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
SCHEMBL27218897 0.87 MAPT (0.52) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218793 0.87 MAPT (0.52) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218679 0.87 MAPT (0.52) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218943 0.87 POLB (0.52) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218646 0.84 MAPT (0.48) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218913 0.82 LMNA (0.47) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218916 0.81 MAPT (0.50) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218797 0.81 MAPT (0.44) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218716 0.80 SMN1; SMN2 (0.56) TSHRLMNAL3MBTL1MAPTSMN1; SMN2
SCHEMBL27218781 0.79 NPC1 (0.54) TSHRLMNAL3MBTL1MAPTSMN1; 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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