SCHEMBL8790716

SCHEMBL8790716

CCN(CC)S(=O)(=O)c1sccc1-c1nnnn1CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL8790797 0.85 ALDH1A1 (0.47) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8790827 0.80 ALDH1A1 (0.38) ALDH1A1HPGDKDM4CMAPTGAA
SCHEMBL8791772 0.79 KDM4E (0.48) ALDH1A1HPGDKDM4CHDAC3HDAC1
SCHEMBL8791432 0.78 ALDH1A1 (0.52) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8790955 0.74 ALDH1A1 (0.51) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8791123 0.74 ALDH1A1 (0.48) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8791721 0.72 ALDH1A1 (0.46) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8791490 0.72 ALDH1A1 (0.41) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8792739 0.71 ALDH1A1 (0.52) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8790045 0.69 KMT2A (0.63) ALDH1A1HPGDKDM4CHDAC3HDAC1

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
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed