SCHEMBL23384652

SCHEMBL23384652

c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(Nc3ccc(-c4cnc5ccccc5c4)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.47
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
CYP2A6 P11509 1/20 0.41
KDM1A O60341 1/20 0.40
BIRC5 O15392 1/20 0.40
PDK2 Q15119 1/20 0.40
NR2F2 P24468 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
PIK3CB P42338 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
SCHEMBL22969816 0.87 TDP2 (0.56) TDP2PDGFRBPDGFRACA12CA1
SCHEMBL29449763 0.83 PDGFRB (0.64) TDP2PDGFRBPDGFRACA12CA1
SCHEMBL28633433 0.83 PDGFRB (0.64) TDP2PDGFRBPDGFRACA12CA1
SCHEMBL16017142 0.82 ALDH1A1 (0.47) CA1CA2CA9PDK2
SCHEMBL10051357 0.81 TDP2 (0.48) TDP2PDGFRBPDGFRACA12CA1
SCHEMBL10051257 0.81 TDP2 (0.48) TDP2PDGFRBPDGFRACA12CA1
SCHEMBL10051221 0.80 TDP2 (0.46) TDP2PDGFRBPDGFRACA12CA1
SCHEMBL808129 0.80 PDK2 (0.54) PDK2
SCHEMBL29518397 0.80 PDK2 (0.54) PDK2
SCHEMBL10051480 0.79 TDP2 (0.46) TDP2PDGFRBPDGFRACA12CA1

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
WO-2021093377-A1 ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING MATERIAL OF LIGHT EXTRACTION LAYER 广州华睿光电材料有限公司 2021-05-20 WO disclosed