SCHEMBL29070076

SCHEMBL29070076

COC(=O)c1ccc2c(c1)S(=O)(=O)N(C)CC=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.42
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 8/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 6/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 3/20 0.38

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
SCHEMBL29673280 0.79 HDAC1 (0.37) PTPRCSMN1; SMN2ALDH1A1CA12CA9
SCHEMBL8056528 0.77 CA1 (0.44) PTPRCSMN1; SMN2ALDH1A1CA12CA9
SCHEMBL27398909 0.73 ERAP2 (0.40) PTPRCCASP3SMN1; SMN2ALDH1A1CA12
SCHEMBL21031908 0.69 ALDH1A1 (0.49) CASP3SMN1; SMN2POLBALDH1A1CA12
SCHEMBL8766396 0.69 CA1 (0.47) PTPRCSMN1; SMN2ALDH1A1CA12CA9
SCHEMBL21031910 0.69 ALDH1A1 (0.48) CASP3SMN1; SMN2POLBALDH1A1CA12
SCHEMBL8057302 0.68 CA1 (0.42) PTPRCSMN1; SMN2ALDH1A1CA12CA9
SCHEMBL8062909 0.68 CA1 (0.42) PTPRCSMN1; SMN2ALDH1A1CA12CA9
SCHEMBL7834808 0.68 KDM4E (0.39) PTPRCSMN1; SMN2POLBALDH1A1CA12
SCHEMBL9086905 0.68 EGFR (0.41) CASP3ALDH1A1CA12CA9NPSR1

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-116745288-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 CN disclosed