SCHEMBL31494332

SCHEMBL31494332

Nc1cc(C(F)(F)F)nc(SCc2nnc(-c3cccc(Cl)c3)o2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ HPGD P15428 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL27218823 1.00 HSD17B10 (0.44) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL27218896 0.89 SMN1; SMN2 (0.48) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL27218662 0.88 POLB (0.42) POLBHPGDALDH1A1MAPTLMNA
SCHEMBL27218675 0.86 SMN1; SMN2 (0.50) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL31494314 0.84 HPGD (0.47) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL27218919 0.84 HPGD (0.47) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL27218752 0.83 LMNA (0.50) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL27218826 0.83 ALDH1A1 (0.39) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL31494300 0.83 ALDH1A1 (0.39) HSD17B10POLBHPGDALDH1A1MAPT
SCHEMBL27218651 0.82 SMN1; SMN2 (0.44) HSD17B10POLBHPGDALDH1A1MAPT

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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