SCHEMBL30799541

SCHEMBL30799541

O=C1c2ccccc2-c2ncccc21

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.91
CTSL P07711 1/20 0.91
CTSS P25774 1/20 0.91
PTPN13 Q12923 1/20 0.91
GAA P10253 1/20 0.78
TDP2 O95551 3/20 0.71
NSD2 O96028 3/20 0.71
PAX8 Q06710 3/20 0.71
ABL1 P00519 1/20 0.71
PLCG1 P19174 1/20 0.71
CES1 P23141 1/20 0.71
RIN1 Q13671 1/20 0.71
ALDH1A1 P00352 1/20 0.65
KMT2A Q03164 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MEN1 O00255 2/20 0.64
THRB P10828 1/20 0.64
BLM P54132 1/20 0.64
CDC25B P30305 4/20 0.59
S100A4 P26447 4/20 0.59

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
SCHEMBL69772 1.00 PTPRC (0.91) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL30777768 0.95 PTPRC (1.00) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL4048788 0.95 PTPRC (1.00) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL29746876 0.91 GAA (0.78) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL1103717 0.91 GAA (0.78) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL30774319 0.88 GAA (1.00) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL579998 0.88 GAA (1.00) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL29551149 0.88 GAA (1.00) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL5915061 0.86 GAA (0.86) PTPRCCTSLCTSSPTPN13GAA
SCHEMBL9267635 0.84 TDP2 (0.74) PTPRCCTSLCTSSPTPN13GAA

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-117683027-A Organic hole injection material and application thereof 北京大学深圳研究生院 2024-03-12 CN disclosed