SCHEMBL9568758

SCHEMBL9568758

O=C(Cn1nnnc1-c1ccc2ccccc2c1)OCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD11B1 P28845 4/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
PTGS2 P35354 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9568925 0.85 ALDH1A1 (0.54) ALDH1A1HPGDHSD11B1MAPK1POLB
SCHEMBL9568919 0.82 ALDH1A1 (0.39) ALDH1A1HPGDHSD11B1MAPK1POLB
SCHEMBL9469451 0.81 ALDH1A1 (0.62) ALDH1A1HPGDHSD11B1POLBHTT
SCHEMBL9568853 0.81 ALDH1A1 (0.65) ALDH1A1HPGDHSD11B1MAPK1POLB
SCHEMBL9568775 0.79 NPSR1 (0.50) ALDH1A1HPGDMAPK1MAPTTSHR
SCHEMBL9568705 0.79 KDM4E (0.41) ALDH1A1HPGDMAPK1POLBHTT
SCHEMBL9568708 0.76 MAPK1 (0.37) ALDH1A1HPGDHSD11B1MAPK1POLB
SCHEMBL9568731 0.76 MAPK1 (0.41) ALDH1A1HPGDHSD11B1MAPK1POLB
SCHEMBL9557277 0.76 MAPK1 (0.41) ALDH1A1HPGDHSD11B1MAPK1POLB
SCHEMBL9568720 0.75 MAPK1 (0.43) ALDH1A1HPGDHSD11B1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed