SCHEMBL31703666

SCHEMBL31703666

COc1cc(-c2nc(C(=O)NCc3cccc[n+]3[O-])cs2)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.49
▸ ALDH1A1 P00352 2/20 0.42
▸ CHEK1 O14757 2/20 0.42
▸ DGAT2 Q96PD7 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ HPGDS O60760 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
SCHEMBL31704047 0.89 ALDH1A1 (0.43) TLR7ALDH1A1DGAT2TP53IRAK4
SCHEMBL31703836 0.88 TLR7 (0.52) TLR7ALDH1A1CHEK1MAPTIRAK4
SCHEMBL31703741 0.88 ALDH1A1 (0.44) TLR7ALDH1A1DGAT2MAPTIRAK4
SCHEMBL31703843 0.88 ALDH1A1 (0.44) TLR7ALDH1A1MAPTTP53IRAK4
SCHEMBL31703828 0.86 ALDH1A1 (0.44) TLR7ALDH1A1MAPTIRAK4NPSR1
SCHEMBL31703950 0.86 ALDH1A1 (0.44) TLR7ALDH1A1MAPTTP53IRAK4
SCHEMBL31703712 0.84 NPSR1 (0.48) TLR7ALDH1A1DGAT2MAPTTP53
SCHEMBL31703867 0.84 CYP2C9 (0.43) TLR7ALDH1A1MAPTIRAK4NPSR1
SCHEMBL31703796 0.83 TLR7 (0.59) TLR7ALDH1A1DGAT2MAPTTP53
SCHEMBL31703816 0.82 ALDH1A1 (0.63) TLR7ALDH1A1DGAT2MAPTIRAK4

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
WO-2025215450-A1 THIAZOLE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-16 — — WO claimed
WO-2025215450-A1 THIAZOLE COMPOUNDS AS SODIUM CHANNEL BLOCKERS SK BIOPHARMACEUTICALS CO., LTD. (KR) 2025-10-16 — — WO disclosed
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