SCHEMBL25339908

SCHEMBL25339908

O=S1(=O)N=CNc2ccc(-c3nccnc3Sc3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NOTUM Q6P988 1/20 0.32
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ SHMT2 P34897 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ TRPV1 Q8NER1 3/20 0.30
▸ HAO1 Q9UJM8 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
SCHEMBL30544125 1.00 CA12 (0.35) CA12CA1CA2CA9NOTUM
SCHEMBL30544147 0.78 CYP1A2 (0.33) TRPV1
SCHEMBL25340911 0.78 CYP1A2 (0.33) TRPV1
SCHEMBL25955286 0.76 TGFBR1 (0.32) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25429584 0.73 CA1 (0.45) CA12CA1CA2CA9SHMT2
SCHEMBL25973977 0.72 TRPV1 (0.39) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25428430 0.71 TRPV1 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL30544022 0.71 TRPV1 (0.36) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25340553 0.70 KIF11 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL25341274 0.70 KIF11 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B

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