SCHEMBL28823005

SCHEMBL28823005

O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.83
HTT P42858 4/20 0.83
ALDH1A1 P00352 3/20 0.83
L3MBTL1 Q9Y468 3/20 0.83
ADCY1 Q08828 10/20 0.81
LMNA P02545 3/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
TDP1 Q9NUW8 2/20 0.81
ALOX15 P16050 1/20 0.81
ALOX12 P18054 1/20 0.81
CXCR5 P32302 1/20 0.81
APLNR P35414 1/20 0.81
OPRK1 P41145 1/20 0.81
CCR6 P51684 1/20 0.81
ADCY8 P40145 3/20 0.77
MEN1 O00255 1/20 0.66
MAPT P10636 1/20 0.66
KMT2A Q03164 1/20 0.66
PTGS2 P35354 1/20 0.66
ABCG2 Q9UNQ0 1/20 0.65

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
SCHEMBL20598390 0.90 ADCY1 (1.00) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL26665245 0.90 KDM4E (0.76) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL26665270 0.90 KDM4E (1.00) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL22594333 0.90 KDM4E (0.78) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL20598356 0.87 ADCY1 (1.00) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL17717009 0.87 KDM4E (0.87) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL26665261 0.87 ADCY1 (0.78) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL30656650 0.86 ADCY1 (0.69) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL30656643 0.86 KDM4E (0.72) KDM4EHTTALDH1A1L3MBTL1ADCY1
SCHEMBL30656644 0.86 KDM4E (0.77) KDM4EHTTALDH1A1L3MBTL1ADCY1

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-105153236-A Oxadiazole imide green iridium complex and preparation method and application thereof UNIV SHANGQIU NORMAL 2015-12-16 CN disclosed