SCHEMBL28186115

SCHEMBL28186115

c1coc(-c2cn[nH]n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 8/20 0.49
PDE10A Q9Y233 1/20 0.49
IDO1 P14902 8/20 0.48
KEAP1 Q14145 1/20 0.48
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
BLM P54132 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
PTPN7 P35236 1/20 0.43

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
SCHEMBL1799678 0.72 ALDH1A1 (0.63) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL28446161 0.70 ALDH1A1 (0.62) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL1075533 0.69 PDE10A (0.50) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL13528568 0.69 ALDH1A1 (0.68) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL3163523 0.68 ALDH1A1 (0.54) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL3060017 0.67 KDM4E (0.58) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL293854 0.67 PDE10A (0.47) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL8221447 0.66 METAP2 (1.00) METAP2IDO1KEAP1SIRT3METAP1
SCHEMBL7914418 0.65 PDE10A (1.00) PDE10AMAPTPOLBHSD17B10KDM4E
SCHEMBL645061 0.65 PDE10A (0.64) PDE10AMAPTPOLBHSD17B10KDM4E

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-105669569-B A kind of synthetic method of the triazole compounds of NH 1,2,3 武汉工程大学 2017-12-12 CN disclosed
CN-105669569-A Synthesis method of NH-1,2,3-triazole compound 武汉工程大学 2016-06-15 CN disclosed