SCHEMBL31703628

SCHEMBL31703628

COc1cc(-c2nc(C(=O)NCc3cccc[n+]3[O-])cs2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TLR7 Q9NYK1 4/20 0.44
▸ MAPK1 P28482 2/20 0.41
▸ IDE P14735 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ RHOC P08134 1/20 0.41
▸ RHOA P61586 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ SCN10A Q9Y5Y9 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
SCHEMBL31703960 0.92 TLR7 (0.45) DGAT2MAPTKDM4EALDH1A1TLR7
SCHEMBL31703790 0.89 ALDH1A1 (0.48) DGAT2MAPTALDH1A1TLR7MAPK1
SCHEMBL31703730 0.88 ALDH1A1 (0.48) DGAT2MAPTKDM4EALDH1A1TLR7
SCHEMBL31703839 0.88 ALDH1A1 (0.48) DGAT2MAPTALDH1A1TLR7MAPK1
SCHEMBL31703816 0.86 ALDH1A1 (0.63) DGAT2MAPTKDM4EALDH1A1TLR7
SCHEMBL31703796 0.85 TLR7 (0.59) DGAT2MAPTKDM4EALDH1A1TLR7
SCHEMBL31703712 0.84 NPSR1 (0.48) DGAT2MAPTKDM4EALDH1A1TLR7
SCHEMBL31703666 0.83 TLR7 (0.49) DGAT2MAPTALDH1A1TLR7HTT
SCHEMBL31703630 0.82 SCN10A (0.46) DGAT2MAPTKDM4EALDH1A1TLR7
SCHEMBL31704004 0.81 NPSR1 (0.51) DGAT2MAPTKDM4EALDH1A1TLR7

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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