SCHEMBL8790797

SCHEMBL8790797

CS(=O)(=O)c1sccc1-c1nnnn1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
KDM4C Q9H3R0 1/20 0.37
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.34
HSP90AA1 P07900 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
CYP3A4 P08684 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL8790716 0.85 ALDH1A1 (0.43) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8791432 0.83 ALDH1A1 (0.52) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8790955 0.79 ALDH1A1 (0.51) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8791123 0.79 ALDH1A1 (0.48) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8791721 0.77 ALDH1A1 (0.46) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8792325 0.76 MAPK8 (0.33) ALDH1A1MAPK8MAPK10
SCHEMBL8792739 0.75 ALDH1A1 (0.52) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8790745 0.75 ALDH1A1 (0.44) ALDH1A1HPGDMAPK8MAPK10KDM4C
SCHEMBL8947322 0.74 ALDH1A1 (0.66) ALDH1A1HPGDHSD11B1HSP90AA1PTGDR2
SCHEMBL8790045 0.73 KMT2A (0.63) ALDH1A1HPGDKDM4CKMT2AHDAC3

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 4 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-RE35321-E ANTIDIABETIC AGENT WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US 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