SCHEMBL8790955

SCHEMBL8790955

O=C(O)Cn1nnnc1-c1ccsc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
KDM4C Q9H3R0 1/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 3/20 0.35
MAPT P10636 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
SCHEMBL8791432 0.84 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8791123 0.80 ALDH1A1 (0.48) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8790797 0.79 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8791721 0.78 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8790076 0.77 ALDH1A1 (0.45) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8790380 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8792739 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8790883 0.76 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CMAPK8MAPK10
SCHEMBL8791584 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CHDAC6HSD11B1
Hydrochloric Acid SCHEMBL8973452 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CMAPK8MAPK10

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