SCHEMBL9568705

SCHEMBL9568705

O=C(Cn1nnnc1-c1cc2ccccc2o1)OCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
MKNK1 Q9BUB5 2/20 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
SCHEMBL9568844 0.83 KDM4E (0.51) KDM4EHPGDHSD17B10MAPTTP53
SCHEMBL9568758 0.79 ALDH1A1 (0.41) KDM4EHPGDMAPTKMT2AALDH1A1
SCHEMBL9568925 0.78 ALDH1A1 (0.54) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL9568708 0.76 MAPK1 (0.37) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL9568731 0.71 MAPK1 (0.41) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL9568841 0.71 KMT2A (0.51) KDM4EHPGDHSD17B10KMT2AALDH1A1
SCHEMBL9568853 0.71 ALDH1A1 (0.65) HPGDHSD17B10MAPTMEN1KMT2A
SCHEMBL9557277 0.69 MAPK1 (0.41) KDM4EHPGDHSD17B10MAPTMEN1
SCHEMBL9568919 0.69 ALDH1A1 (0.39) KDM4EHPGDHSD17B10MAPTTP53
SCHEMBL9568725 0.68 POLB (0.40) MAPTMEN1KMT2AALDH1A1MAPK1

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