SCHEMBL31494448

SCHEMBL31494448

Cc1cc(N)nc(SCc2nc(-c3ccoc3)no2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.64
▸ NPC1 O15118 5/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ LMNA P02545 4/20 0.64
▸ HTT P42858 2/20 0.64
▸ TDP1 Q9NUW8 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 6/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ TNKS2 Q9H2K2 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL31494430 0.85 SMN1; SMN2 (0.72) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218886 0.84 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL29808248 0.82 NPC1 (0.46) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218936 0.82 RAB9A (0.71) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218874 0.81 HTT (0.69) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218688 0.80 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218761 0.79 RAB9A (0.64) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218899 0.77 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218810 0.76 NPC1 (0.61) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL27218689 0.75 HTT (0.55) RAB9ANPC1SMN1; SMN2LMNAHTT

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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