SCHEMBL31703741

SCHEMBL31703741

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ TLR7 Q9NYK1 6/20 0.43
▸ LMNA P02545 2/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ IDE P14735 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ RHOC P08134 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ DGAT2 Q96PD7 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
SCHEMBL31703828 0.93 ALDH1A1 (0.44) ALDH1A1TLR7LMNANR1H4MAPK1
SCHEMBL31703843 0.91 ALDH1A1 (0.44) ALDH1A1TLR7LMNANR1H4MAPK1
SCHEMBL31704047 0.90 ALDH1A1 (0.43) ALDH1A1TLR7NR1H4MAPK1IDE
SCHEMBL31703733 0.90 LMNA (0.44) ALDH1A1TLR7LMNACYP1A2CYP3A4
SCHEMBL31703950 0.89 ALDH1A1 (0.44) ALDH1A1TLR7NR1H4MAPK1IDE
SCHEMBL31703848 0.88 IRAK4 (0.45) ALDH1A1TLR7LMNACYP1A2CYP3A4
SCHEMBL31703666 0.88 TLR7 (0.49) ALDH1A1TLR7HPGDIRAK4MAPT
SCHEMBL31703731 0.86 IRAK4 (0.45) ALDH1A1TLR7LMNACYP1A2CYP3A4
SCHEMBL31703796 0.86 TLR7 (0.59) ALDH1A1TLR7LMNANR1H4MAPK1
SCHEMBL31703816 0.85 ALDH1A1 (0.63) ALDH1A1TLR7LMNANR1H4MAPK1

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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