SCHEMBL9568844

SCHEMBL9568844

O=C(O)Cn1nnnc1-c1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
HPGD P15428 5/20 0.51
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 10/20 0.48
TSHR P16473 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4C Q9H3R0 1/20 0.43
MAPK1 P28482 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL9568705 0.83 KDM4E (0.41) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL8791787 0.77 ALDH1A1 (0.55) KDM4EHPGDHSD17B10ALDH1A1KDM4C
SCHEMBL8791207 0.75 ALDH1A1 (0.65) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL9469451 0.75 ALDH1A1 (0.62) KDM4EHPGDALDH1A1KMT2AKDM4C
SCHEMBL5966693 0.74 ALDH1A1 (0.74) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL8973725 0.74 ALDH1A1 (0.54) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL8791016 0.73 ALDH1A1 (0.52) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL8790981 0.72 ALDH1A1 (0.46) KDM4EHPGDALDH1A1TSHRMEN1
SCHEMBL9469700 0.72 ALDH1A1 (0.51) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL8947261 0.72 ALDH1A1 (0.75) KDM4EHPGDHSD17B10ALDH1A1KDM4C

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