SCHEMBL31494404

SCHEMBL31494404

FC(F)(F)c1ccc(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL31494392 0.86 CLK1 (0.46) MAPTCHRM2CHRM5CHRM1NPC1
SCHEMBL31494452 0.84 MAPK1 (0.45) MAPTCHRM2CHRM5CHRM1NPC1
SCHEMBL31494388 0.84 MAPT (0.54) MAPTNPC1RAB9AMAPK1L3MBTL1
SCHEMBL31494450 0.82 MAPT (0.47) MAPTCHRM2CHRM5CHRM1NPC1
SCHEMBL31494445 0.82 CHRM2 (0.44) MAPTCHRM2CHRM5CHRM1NPC1
SCHEMBL27218792 0.80 CA12 (0.48) MAPTCHRM2CHRM5CHRM1NPC1
SCHEMBL27218901 0.78 RAB9A (0.44) MAPTNPC1RAB9AMAPK1TSHR
SCHEMBL31494431 0.78 RAB9A (0.45) MAPTCHRM2CHRM5CHRM1NPC1
SCHEMBL31494432 0.76 GAA (0.53) MAPTNPC1RAB9AMAPK1L3MBTL1
SCHEMBL27218716 0.76 SMN1; SMN2 (0.56) MAPTCHRM2CHRM5CHRM1NPC1

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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