SCHEMBL11266375

SCHEMBL11266375

Cc1cc(C)c(S(=O)(=O)C#CCNC(=O)O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
FABP4 P15090 1/20 0.42
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
RAPGEF4 Q8WZA2 3/20 0.39
CYTH2 Q99418 1/20 0.38
ALKBH3 Q96Q83 1/20 0.37
FTO Q9C0B1 1/20 0.37
F2 P00734 3/20 0.37
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37

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
SCHEMBL11279894 0.75 GABRA1 (0.35) POLBTSHRSMN1; SMN2
SCHEMBL10661936 0.73 MAPT (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL11271168 0.73 FABP4 (0.40) FABP4
SCHEMBL10665522 0.70 FABP4 (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL11281043 0.70 CA1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL11276435 0.70 MMP2 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL11161902 0.70 ALDH1A1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL6548063 0.70 RAPGEF4 (0.47) CA1CA2MMP1MMP2MMP9
SCHEMBL17101159 0.69 FABP4 (0.66) CA1CA2MMP1MMP2MMP9
SCHEMBL28650058 0.66 CA1 (0.59) CA1CA2MMP1MMP2MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168152-A TRIAZINE HERBICIDES WITH N-BENZENESULFONYL CARBAMATES AS HERBICIDE ANTIBOTES STAUFFER CHEMICAL COMPANY (US) 1979-09-18 US claimed
US-4334911-A THIOCARBAMATE AND TRIAZINE MIXTURE WITH N-BENZENE-SULFONYL STAUFFER CHEMICAL COMPANY (US) 1982-06-15 US disclosed
US-4168152-A TRIAZINE HERBICIDES WITH N-BENZENESULFONYL CARBAMATES AS HERBICIDE ANTIBOTES STAUFFER CHEMICAL COMPANY (US) 1979-09-18 US disclosed