SCHEMBL9568756

SCHEMBL9568756

O=C(Cn1nnnc1-c1cccc(C(F)(F)F)c1)OCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.57
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
XPO1 O14980 1/20 0.45
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL8947234 0.85 POLB (0.60) POLBHTTL3MBTL1XPO1GRIN1
SCHEMBL8947354 0.83 POLB (0.65) POLBHTTL3MBTL1XPO1GRIN1
SCHEMBL9568925 0.82 ALDH1A1 (0.54) POLBHTTALDH1A1HPGDMEN1
SCHEMBL9568758 0.79 ALDH1A1 (0.41) POLBHTTL3MBTL1ALDH1A1HPGD
SCHEMBL9568853 0.78 ALDH1A1 (0.65) POLBHTTL3MBTL1SLC6A2SLC6A4
SCHEMBL8947128 0.76 MAPK1 (0.53) POLBHTTL3MBTL1ALDH1A1HPGD
SCHEMBL9557277 0.74 MAPK1 (0.41) POLBHTTL3MBTL1ALDH1A1HPGD
SCHEMBL9568731 0.74 MAPK1 (0.41) POLBHTTL3MBTL1ALDH1A1HPGD
SCHEMBL9568841 0.74 KMT2A (0.51) POLBL3MBTL1ALDH1A1HPGDNPSR1
SCHEMBL9568919 0.73 ALDH1A1 (0.39) POLBHTTL3MBTL1ALDH1A1HPGD

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