SCHEMBL31703712

SCHEMBL31703712

COc1cc(C(F)(F)F)ccc1-c1nc(C(=O)NCc2cccc[n+]2[O-])cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.48
▸ DGAT2 Q96PD7 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TLR7 Q9NYK1 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ IDE P14735 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ CTSA P10619 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ ROCK1 Q13464 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL31704004 0.89 NPSR1 (0.51) NPSR1DGAT2ALDH1A1MAPTKDM4E
SCHEMBL31703720 0.88 SCN10A (0.43) NPSR1DGAT2MAPTTLR7CTSA
SCHEMBL31703651 0.88 NPSR1 (0.64) NPSR1DGAT2ALDH1A1MAPTTLR7
SCHEMBL31703791 0.88 NPSR1 (0.51) NPSR1DGAT2ALDH1A1MAPTKDM4E
SCHEMBL31703920 0.88 NPSR1 (0.51) NPSR1DGAT2ALDH1A1MAPTKDM4E
SCHEMBL31703892 0.88 MAPT (0.47) NPSR1ALDH1A1MAPTKDM4ETLR7
SCHEMBL31703795 0.85 CTSA (0.38) MAPTTP53CTSAROCK2ROCK1
SCHEMBL31703666 0.84 TLR7 (0.49) NPSR1DGAT2ALDH1A1MAPTTLR7
SCHEMBL31703628 0.84 DGAT2 (0.49) NPSR1DGAT2ALDH1A1MAPTKDM4E
SCHEMBL31703796 0.84 TLR7 (0.59) NPSR1DGAT2ALDH1A1MAPTKDM4E

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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