SCHEMBL31703804

SCHEMBL31703804

CCOc1cc(OC(F)(F)F)cc(-c2nc(C(=O)NCc3cccc[n+]3[O-])cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.45
▸ TLR7 Q9NYK1 8/20 0.42
▸ DGAT2 Q96PD7 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ACKR3 P25106 1/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ SCN2A Q99250 1/20 0.35

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
SCHEMBL31703960 0.90 TLR7 (0.45) SCN10ATLR7DGAT2ALDH1A1
SCHEMBL31703630 0.87 SCN10A (0.46) SCN10ATLR7DGAT2ALDH1A1ACKR3
SCHEMBL31703842 0.86 SCN10A (0.55) SCN10ATLR7DGAT2ACKR3CYP2C9
SCHEMBL31703628 0.82 DGAT2 (0.49) SCN10ATLR7DGAT2ALDH1A1IRAK4
SCHEMBL31703720 0.81 SCN10A (0.43) SCN10ATLR7DGAT2CYP2C9CYP1A2
SCHEMBL31703867 0.81 CYP2C9 (0.43) SCN10ATLR7ALDH1A1CYP2C9CYP1A2
SCHEMBL31703958 0.80 TLR7 (0.60) TLR7ACKR3CYP2C9CYP1A2CYP3A4
SCHEMBL31703844 0.78 TLR7 (0.56) TLR7ALDH1A1ACKR3CYP2C9CYP1A2
SCHEMBL31703726 0.78 TLR7 (0.56) TLR7ALDH1A1ACKR3CYP2C9CYP1A2
SCHEMBL31703947 0.78 HPGD (0.57) TLR7HPGDSALDH1A1ACKR3CYP2C9

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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