SCHEMBL31494445

SCHEMBL31494445

FC(F)(F)c1cc(SCc2nc(-c3ccc4c(c3)OCO4)no2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ RAB9A P51151 8/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 5/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 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
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39

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
SCHEMBL31494450 0.84 MAPT (0.47) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL31494392 0.84 CLK1 (0.46) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL31494431 0.82 RAB9A (0.45) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL31494404 0.82 MAPT (0.44) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL27218738 0.79 RXFP1 (0.47) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL31494432 0.78 GAA (0.53) RAB9ANPC1MAPK1L3MBTL1MAPT
SCHEMBL27218858 0.76 RAB9A (0.47) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL31494452 0.76 MAPK1 (0.45) CHRM2CHRM5CHRM1RAB9ANPC1
SCHEMBL31494388 0.76 MAPT (0.54) RAB9ANPC1MAPK1L3MBTL1MAPT
SCHEMBL27218796 0.76 MAPT (0.45) CHRM2CHRM5CHRM1RAB9ANPC1

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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