SCHEMBL21727622

SCHEMBL21727622

Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.54
▸ CA2 P00918 7/20 0.54
▸ CA9 Q16790 6/20 0.54
▸ CA12 O43570 4/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA7 P43166 1/20 0.54
▸ THRB P10828 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL18407955 0.87 POLB (0.48) CA1CA2CA9THRBPOLB
SCHEMBL18407885 0.85 MEN1 (0.50) CA1CA2CA9CA12THRB
SCHEMBL21727502 0.85 THRB (0.47) CA1CA2CA9THRBPOLB
SCHEMBL21727607 0.84 CYP1A2 (0.48) CA1CA2CA9THRBPOLB
SCHEMBL18408005 0.84 CA2 (0.59) CA2THRBPOLBLMNATDP1
SCHEMBL21727581 0.83 TP53 (0.48) CA1CA2CA9THRBPOLB
SCHEMBL18407909 0.82 TP53 (0.57) CA1CA2CA9CA7THRB
SCHEMBL23715725 0.82 GRM5 (0.44) CA9CA12THRBPOLBLMNA
SCHEMBL18407921 0.81 GRM4 (0.47) CA1CA2CA9THRBPOLB
SCHEMBL18407886 0.80 CYP1A2 (0.50) CA1CA2CA9THRBPOLB

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
EP-3121164-B1 SULPHAMOYLPYRROLAMIDE DERIVATIVES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-02-19 — — EP disclosed
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