SCHEMBL28050798

SCHEMBL28050798

c1ccc2nc(Cn3nccn3)cnc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.58
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP19A1 P11511 1/20 0.46
FAAH O00519 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
HTR1A P08908 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL28050784 0.75 CYP19A1 (0.54) PDE10AMAPTKMT2ACYP19A1ALDH1A1
SCHEMBL12066225 0.74 PDE10A (1.00) PDE10AMEN1MAPTKMT2A
SCHEMBL29150400 0.74 PDE10A (0.56) PDE10AMEN1MAPTKMT2AFAAH
SCHEMBL28509060 0.73 CYP11B1 (0.57) PDE10AMEN1MAPTKMT2ACYP19A1
SCHEMBL4677179 0.71 PDE10A (0.69) PDE10AMEN1MAPTKMT2AALDH1A1
SCHEMBL2646721 0.71 PDE10A (0.69) PDE10AMEN1MAPTKMT2AALDH1A1
SCHEMBL31694655 0.71 PDE10A (0.69) PDE10AMEN1MAPTKMT2AALDH1A1
SCHEMBL5247878 0.71 PDE10A (0.69) PDE10AMEN1MAPTKMT2AALDH1A1
SCHEMBL17179177 0.71 PDE10A (0.69) PDE10AMEN1MAPTKMT2AALDH1A1
SCHEMBL5527742 0.71 PDE10A (0.69) PDE10AMEN1MAPTKMT2AALDH1A1

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-105175437-A Triazole quinoxaline cadmium complex and preparation method thereof UNIV NANYANG NORMAL 2015-12-23 CN disclosed