SCHEMBL31605546

SCHEMBL31605546

CCc1cc(-c2noc3ccc(C#N)cc23)c(OC)c(S(N)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA12 O43570 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA4 P22748 2/20 0.35
▸ NR3C2 P08235 1/20 0.34
▸ PTGES2 Q9H7Z7 4/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.32
▸ STS P08842 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ KAT7 O95251 1/20 0.30
▸ KAT6B Q8WYB5 1/20 0.30
▸ KAT6A Q92794 1/20 0.30
▸ KAT5 Q92993 1/20 0.30
▸ KAT8 Q9H7Z6 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ RXRA P19793 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
SCHEMBL31605594 0.85 FAAH (0.38) CA1CA2CA12CA9CA4
SCHEMBL31605595 0.78 KAT7 (0.49) CA1CA2CA12CA9KAT7
SCHEMBL31605584 0.78 CA4 (0.35) CA1CA2CA4TP53CA7
Trifluoroacetic Acid SCHEMBL31605629 0.78 F10 (0.33) CA4RXRA
SCHEMBL31605638 0.77 CA4 (0.36) CA1CA2CA4CA7KAT7
SCHEMBL31605588 0.77 CA4 (0.35) CA1CA2CA12CA9CA4
SCHEMBL31605582 0.77 KAT7 (0.37) CA1CA2CA12CA9CA4
SCHEMBL31605633 0.76 KAT7 (0.36) CA1CA2CA12CA9CA4
SCHEMBL31535954 0.76 ADRA1D (0.41) CA4KAT7KAT6BKAT6A
SCHEMBL31120831 0.74 KAT7 (0.40) CA4KAT7KAT6BKAT6AKAT5

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
CN-112334466-B Compounds of formula (I) CTXT私人有限公司 2025-05-30 — — CN disclosed
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