SCHEMBL30544079

SCHEMBL30544079

CN1CCOc2ccc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)cc2S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 6/20 0.36
▸ CYP2D6 P10635 4/20 0.34
▸ CYP2C9 P11712 4/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ ITGB2 P05107 6/20 0.33
▸ ICAM1 P05362 6/20 0.33
▸ ITGAL P20701 6/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ TNIK Q9UKE5 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL25339990 1.00 GPR142 (0.36) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25338102 0.88 GPR142 (0.37) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL30543994 0.83 SCN9A (0.35) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25340424 0.83 SCN9A (0.35) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25955573 0.78 ITGB2 (0.33) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25340004 0.74 PDE10A (0.40) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL30544147 0.74 CYP1A2 (0.33) CYP2D6CYP2C9CYP3A4CYP1A2GAA
SCHEMBL25340911 0.74 CYP1A2 (0.33) CYP2D6CYP2C9CYP3A4CYP1A2GAA
SCHEMBL30544122 0.71 TRPV1 (0.37) CYP2D6CYP2C9CYP3A4CYP1A2GAA
SCHEMBL25954052 0.71 TRPV1 (0.37) CYP2D6CYP2C9CYP3A4CYP1A2GAA

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-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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