SCHEMBL28154609

SCHEMBL28154609

COC1(O)C=CC(Nc2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 3/20 0.32
HPGD P15428 3/20 0.32
POLB P06746 3/20 0.32
ALOX12 P18054 2/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
PTGS2 P35354 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH3 Q9ULD8 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL27936506 0.73 POLB (0.37) MAPTALOX15HSD17B10MAPK1HPGD
SCHEMBL9466800 0.73 CMA1 (0.30)
SCHEMBL30539491 0.69 HSD17B10 (0.34) MAPTALOX15HSD17B10MAPK1POLB
SCHEMBL22401561 0.69 HSD17B10 (0.31) ALOX15HSD17B10MAPK1ALOX12ALDH1A1
SCHEMBL28752825 0.68 ACHE (0.34) MAPTALOX15HPGDPOLBHTT
Bicarbonate SCHEMBL30050775 0.68 L3MBTL1 (0.39) MAPTMAPK1HPGDPOLBALOX12
SCHEMBL30437979 0.68 HSD17B10 (0.33) ALOX15HSD17B10MAPK1ALOX12ALDH1A1
SCHEMBL25321824 0.66 HSD17B10 (0.31) ALOX15HSD17B10MAPK1ALOX12ALDH1A1
SCHEMBL27694870 0.66 HSD17B10 (0.31) ALOX15HSD17B10MAPK1ALOX12ALDH1A1
SCHEMBL31463484 0.65 ALDH1A1 (0.39) ALOX15HSD17B10MAPK1HPGDPOLB

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
CN-106883132-B One kind replaces the copper that hydrazides is ligand to be catalyzed C-N coupling method with N, N- bis- 中山大学 2019-03-22 CN disclosed
CN-106883132-A With N, the substitution hydrazides of N bis- is the copper catalysis C N coupling methods of part to one kind 中山大学 2017-06-23 CN disclosed