SCHEMBL8790076

SCHEMBL8790076

O=C(O)Cn1nnnc1-c1ccsc1Sc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 3/20 0.36
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
P2RX7 Q99572 1/20 0.33
TSHR P16473 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL8791123 0.84 ALDH1A1 (0.48) ALDH1A1HPGDKDM4CMAPTKMT2A
SCHEMBL8791432 0.78 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CMAPTKMT2A
SCHEMBL8791140 0.78 ALDH1A1 (0.35) ALDH1A1HPGDKMT2AHSD11B1MAPK8
SCHEMBL8790955 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKDM4CMAPTKMT2A
SCHEMBL8790845 0.75 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CMAPTKMT2A
SCHEMBL8947097 0.74 ALDH1A1 (0.60) ALDH1A1HPGDKDM4CMAPTHSD11B1
SCHEMBL8790797 0.73 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CMAPTKMT2A
SCHEMBL8947245 0.72 ALDH1A1 (0.55) ALDH1A1HPGDKDM4CMAPTHSD11B1
SCHEMBL8791721 0.72 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CMAPTKMT2A
SCHEMBL8790981 0.72 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CMAPTKMT2A

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