SCHEMBL16452298

SCHEMBL16452298

c1cc(-c2ccc3oc4ccccc4c3c2)nc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4cc32)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.33
PTPRF P10586 5/20 0.33
PTPN2 P17706 5/20 0.33
PTPN1 P18031 5/20 0.33
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL19978773 0.97 CHEK2 (0.32) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL14867964 0.96 CHEK2 (0.34) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL12691567 0.94 CHEK2 (0.36) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL16452064 0.94 PLA2G2A (0.34) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL16452299 0.94 KDM4E (0.38) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL14770562 0.93 PTPRF (0.35) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL16452251 0.92 PLA2G2A (0.36) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL14770637 0.91 PTPRF (0.34) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL12175600 0.91 CHEK2 (0.36) CHEK2PTPRFPTPN2PTPN1KDM4E
SCHEMBL17248221 0.91 PLA2G2A (0.35) CHEK2KDM4ENPC1MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 US disclosed
US-9985219-B2 Organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2018-05-29 US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 US disclosed
US-20150041785-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-02-12 US disclosed