SCHEMBL31703867

SCHEMBL31703867

O=C(NCc1cccc[n+]1[O-])c1csc(-c2ccc(Cl)c(OC(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ TLR7 Q9NYK1 8/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ DRD4 P21917 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RHOC P08134 1/20 0.37
▸ RHOA P61586 1/20 0.37
▸ SLC40A1 Q9NP59 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
SCHEMBL31703836 0.89 TLR7 (0.52) TLR7IRAK4MAPTALDH1A1DRD4
SCHEMBL31703950 0.87 ALDH1A1 (0.44) CYP2C9TLR7IRAK4MAPTALDH1A1
SCHEMBL31703842 0.87 SCN10A (0.55) CYP2C9SCN10ATLR7IRAK4CYP1A2
SCHEMBL31704046 0.86 MAPT (0.52) CYP2C9TLR7IRAK4MAPTALDH1A1
SCHEMBL31703630 0.86 SCN10A (0.46) CYP2C9SCN9ASCN10ATLR7IRAK4
SCHEMBL31703848 0.86 IRAK4 (0.45) CYP2C9TLR7IRAK4MAPTALDH1A1
SCHEMBL31703999 0.85 TLR7 (0.42) CYP2C9SCN9ASCN10ATLR7IRAK4
SCHEMBL31703843 0.85 ALDH1A1 (0.44) CYP2C9TLR7IRAK4MAPTALDH1A1
SCHEMBL31703864 0.84 IRAK4 (0.45) CYP2C9TLR7IRAK4MAPTALDH1A1
SCHEMBL31703731 0.84 IRAK4 (0.45) CYP2C9TLR7IRAK4MAPTALDH1A1

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
Send feedback