SCHEMBL25955573

SCHEMBL25955573

CN1CCOc2ccc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)cc2[S+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 6/20 0.33
▸ ICAM1 P05362 6/20 0.33
▸ ITGAL P20701 6/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ GPR142 Q7Z601 6/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ CYP2C9 P11712 3/20 0.31
▸ KCNH2 Q12809 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPK11 Q15759 2/20 0.31
▸ MAPK14 Q16539 2/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL25955585 0.88 GPR142 (0.34) ITGB2ICAM1ITGALTRPV1PIK3CA
SCHEMBL25955625 0.83 PDE10A (0.35) TRPV1PIK3CAGPR142CYP2D6CYP2C9
SCHEMBL25339990 0.78 GPR142 (0.36) ITGB2ICAM1ITGALTRPV1PIK3CA
SCHEMBL30544079 0.78 GPR142 (0.36) ITGB2ICAM1ITGALTRPV1PIK3CA
SCHEMBL25955304 0.74 CYP1A2 (0.33) CYP2D6CYP2C9CYP3A4
SCHEMBL21780467 0.71 KCNH2 (0.45) TRPV1PIK3CAGPR142CYP2D6CYP2C9
SCHEMBL22563248 0.70 TLR8 (0.36) TRPV1PIK3CAGPR142CYP2D6CYP2C9
SCHEMBL25955286 0.69 TGFBR1 (0.32) TRPV1
SCHEMBL21780488 0.68 ROCK2 (0.36) TRPV1PIK3CAGPR142CYP2D6CYP2C9
SCHEMBL30544122 0.67 TRPV1 (0.37) TRPV1CYP2D6CYP2C9CYP3A4SCN5A

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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