SCHEMBL31703795

SCHEMBL31703795

COc1cc(C(F)(F)F)ccc1-c1nc(C(=O)NCc2cccc[n+]2[O-])c(C)s1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 2/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ NCS1 P62166 1/20 0.37
▸ PDE4B Q07343 4/20 0.36
▸ PDE11A Q9HCR9 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL31703712 0.85 NPSR1 (0.48) CTSAROCK2ROCK1MAPTTP53
SCHEMBL31704088 0.84 PPARA (0.46) TACR1MAPTNPC1TP53
SCHEMBL31704004 0.76 NPSR1 (0.51) ROCK2ROCK1TACR1MAPTTP53
SCHEMBL31703765 0.74 PPARA (0.42) TACR1MAPTNPC1TP53
SCHEMBL31703791 0.74 NPSR1 (0.51) ROCK2ROCK1TACR1MAPT
SCHEMBL31703869 0.74 TP53 (0.39) CTSAROCK2MAPTNPC1TP53
SCHEMBL31703870 0.74 TP53 (0.39) CTSAROCK2MAPTNPC1TP53
SCHEMBL31703902 0.74 APOBEC3A (0.36) MAPTCNR1CNR2
SCHEMBL31703651 0.72 NPSR1 (0.64) MAPTTP53
SCHEMBL31703892 0.72 MAPT (0.47) CTSAROCK2ROCK1PDE4BMAPT

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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