SCHEMBL31703816

SCHEMBL31703816

O=C(NCc1cccc[n+]1[O-])c1csc(-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ TLR7 Q9NYK1 5/20 0.61
▸ MAPK1 P28482 2/20 0.52
▸ IDE P14735 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ NR1H4 Q96RI1 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42

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
SCHEMBL31703796 0.89 TLR7 (0.59) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703839 0.89 ALDH1A1 (0.48) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703730 0.89 ALDH1A1 (0.48) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703790 0.88 ALDH1A1 (0.48) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703798 0.86 TLR7 (0.58) ALDH1A1TLR7MAPK1NPSR1MAPT
SCHEMBL31703791 0.86 NPSR1 (0.51) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703920 0.86 NPSR1 (0.51) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703651 0.86 NPSR1 (0.64) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31704004 0.86 NPSR1 (0.51) ALDH1A1TLR7MAPK1IDEMAPK10
SCHEMBL31703947 0.86 HPGD (0.57) ALDH1A1TLR7NPSR1MAPTLMNA

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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