SCHEMBL11279894

SCHEMBL11279894

CCc1cccc(CC)c1S(=O)(=O)C#CCNC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CLCN2 P51788 1/20 0.34
PTGS2 P35354 1/20 0.34
KAT6A Q92794 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL10661936 0.78 MAPT (0.40) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL11266375 0.75 CA1 (0.43) TSHRSMN1; SMN2POLB
SCHEMBL11281043 0.71 CA1 (0.40) ALDH1A1TDP1
SCHEMBL11161902 0.71 ALDH1A1 (0.42) ALDH1A1HTTTSHRCYP2C19SMN1; SMN2
SCHEMBL11271168 0.68 FABP4 (0.40) FBP1
SCHEMBL11687538 0.65 GABRA1 (0.52) GABRA1GABRB2TSHRTDP1SMN1; SMN2
SCHEMBL27682450 0.64 ALDH1A1 (0.53) ALDH1A1HTTTSHRCYP2C19ALOX12
Hydrochloric Acid SCHEMBL27327616 0.63 GABRA1 (0.50) GABRA1GABRB2TSHRTDP1SMN1; SMN2
SCHEMBL1607448 0.63 GABRA1 (0.45) GABRA1GABRB2PTGS2ALDH1A1HTT
SCHEMBL16047182 0.62 ALOX15 (0.51) GABRA1GABRB2CLCN2KAT6AALDH1A1

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
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