SCHEMBL31703720

SCHEMBL31703720

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ DGAT2 Q96PD7 1/20 0.40
▸ ROCK2 O75116 3/20 0.40
▸ ROCK1 Q13464 3/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CSNK1D P48730 1/20 0.38
▸ TLR7 Q9NYK1 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37

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 0.88 NPSR1 (0.48) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31703892 0.86 MAPT (0.47) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31703999 0.85 TLR7 (0.42) SCN10AMAPTCYP2C9DGAT2IRAK4
SCHEMBL31703842 0.85 SCN10A (0.55) SCN10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31703630 0.84 SCN10A (0.46) SCN10AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL31703804 0.81 SCN10A (0.45) SCN10ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31703666 0.81 TLR7 (0.49) SCN10AMAPTDGAT2IRAK4TLR7
SCHEMBL26617208 0.80 ROCK2 (0.51) ROCK2ROCK1CTSA
SCHEMBL31703867 0.80 CYP2C9 (0.43) SCN10AMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL31704004 0.79 NPSR1 (0.51) MAPTDGAT2ROCK2ROCK1TLR7

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 1 patent. 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 disclosed
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