SCHEMBL9568853

SCHEMBL9568853

O=C(Cn1nnnc1-c1ccc(F)cc1)OCCO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
HPGD P15428 1/20 0.65
STAT5B P51692 1/20 0.46
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.39
PTGS2 P35354 5/20 0.39
HSD11B1 P28845 2/20 0.38
MAPK14 Q16539 1/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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 0.87 ALDH1A1 (0.54) ALDH1A1HPGDMAPK1POLBKMT2A
SCHEMBL9568775 0.83 NPSR1 (0.50) ALDH1A1HPGDMAPK1MAPTL3MBTL1
SCHEMBL8947278 0.83 ALDH1A1 (0.70) ALDH1A1HPGDSTAT5BGAAMAPK1
SCHEMBL9568720 0.81 MAPK1 (0.43) ALDH1A1HPGDMAPK1HSD11B1
SCHEMBL9568758 0.81 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1POLBKMT2A
SCHEMBL9568731 0.80 MAPK1 (0.41) ALDH1A1HPGDSTAT5BMAPK1POLB
SCHEMBL9557277 0.80 MAPK1 (0.41) ALDH1A1HPGDGAAMAPK1POLB
SCHEMBL8947164 0.79 ALDH1A1 (1.00) ALDH1A1HPGDSTAT5BPOLBHTT
SCHEMBL11983631 0.78 ALDH1A1 (0.76) ALDH1A1HPGDSTAT5BPTGS2HSD11B1
SCHEMBL9568919 0.77 ALDH1A1 (0.39) ALDH1A1HPGDGAAMAPK1POLB

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