SCHEMBL31494451

SCHEMBL31494451

Cc1cc(N)nc(SCc2nc(C3CCC3)no2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ HTT P42858 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TSHR P16473 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ MAPT P10636 1/20 0.32

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
SCHEMBL27218791 0.98 RAB9A (0.48) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL27218745 0.95 RAB9A (0.50) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL29808310 0.80 ALOX15 (0.40) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL29807963 0.77 ALOX15 (0.40) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL31494410 0.75 RAB9A (0.52) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL29808205 0.74 ALOX15 (0.42) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL31528335 0.73 RAB9A (0.50) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL27218748 0.73 RAB9A (0.50) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL27218817 0.73 RAB9A (0.50) RAB9AHTTNPC1SMN1; SMN2LMNA
SCHEMBL31494430 0.72 SMN1; SMN2 (0.72) RAB9AHTTNPC1SMN1; SMN2LMNA

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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