SCHEMBL16452013

SCHEMBL16452013

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6n(-c6cccc(-c7ccc8oc9ccccc9c8c7)n6)c5ccc43)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G4A P47712 2/20 0.33
PLA2G10 O15496 1/20 0.33
PTPRF P10586 3/20 0.32
PTPN2 P17706 3/20 0.32
PTPN1 P18031 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16452241 0.99 CHEK2 (0.33) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452245 0.97 CHEK2 (0.34) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452239 0.96 PLA2G2A (0.36) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452261 0.96 CHEK2 (0.33) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452285 0.93 PLA2G2A (0.36) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452112 0.92 CHEK2 (0.32) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL12691305 0.92 PLA2G2A (0.33) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452174 0.92 PLA2G2A (0.36) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL16452203 0.92 PLA2G2A (0.36) CHEK2PLA2G2APLA2G4APLA2G10PTPRF
SCHEMBL12691558 0.92 CHEK2 (0.31) CHEK2PTPRFPTPN2PTPN1

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