SCHEMBL31494388

SCHEMBL31494388

Cc1ccc(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 5/20 0.48
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ POLB P06746 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
SCHEMBL31494452 0.87 MAPK1 (0.45) MAPTSMN1; SMN2GAAALDH1A1TSHR
SCHEMBL31494422 0.87 RAB9A (0.55) MAPTSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL31494432 0.85 GAA (0.53) MAPTSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL31494404 0.84 MAPT (0.44) MAPTSMN1; SMN2GAAALDH1A1TSHR
SCHEMBL31494362 0.83 GAA (0.51) MAPTSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL27218792 0.83 CA12 (0.48) MAPTSMN1; SMN2GAAALDH1A1TSHR
SCHEMBL27218901 0.82 RAB9A (0.44) MAPTSMN1; SMN2GAAALDH1A1TSHR
SCHEMBL31494420 0.81 GAA (0.48) MAPTSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL27218916 0.81 MAPT (0.50) MAPTSMN1; SMN2GAAALDH1A1HPGD
SCHEMBL31494458 0.80 RAB9A (0.54) MAPTSMN1; SMN2GAAALDH1A1HPGD

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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