SCHEMBL29445658

SCHEMBL29445658

COc1ccc(-c2nc3ccccc3n2-c2cc(OC)c(OC)c(OC)c2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
GAA P10253 2/20 0.48
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 1/20 0.47
KATNA1 O75449 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46

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
SCHEMBL28722317 1.00 KDM4E (0.59) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL28719401 0.93 KDM4E (0.51) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL29445624 0.93 KDM4E (0.51) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL28722315 0.89 KDM4E (0.59) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL29445679 0.89 KDM4E (0.59) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL28721852 0.88 TUBB4A (0.55) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL29445651 0.88 TUBB4A (0.55) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL29445659 0.86 ESR1 (0.51) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL28719397 0.85 PTGS2 (0.49) KDM4EGAAHSD17B10ALDH1A1TP53
SCHEMBL28719403 0.85 ESR1 (0.55) KDM4EHSD17B10ALDH1A1TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109053584-B Preparation and application of 1, 2-diaryl benzimidazole derivatives 南京大学 2022-03-18 CN disclosed