SCHEMBL31494380

SCHEMBL31494380

Cc1cc(N)nc(SCc2ncc(-c3cccc(C(F)(F)F)c3)o2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ DCK P27707 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36

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
SCHEMBL27218763 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDUSP2GAA
SCHEMBL27218924 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDUSP2GAA
SCHEMBL27218882 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2HPGDUSP2GAA
SCHEMBL27218767 0.85 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL27218670 0.85 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL31494328 0.85 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL31494316 0.85 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL27218700 0.85 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL31494301 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDUSP2LMNA
SCHEMBL27218696 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HPGDUSP2LMNA

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 claimed
EP-3956323-B1 OXAZOLE AND OXADIAZOLE DERIVATIVES USEFUL AS AGONISTS OF FREE FATTY ACID RECEPTOR 1 Halo Therapeutics Ltd (GB) 2025-03-05 — — EP claimed
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