SCHEMBL29907968

SCHEMBL29907968

c1ccc(-n2c3ccccc3c3cc(Nc4cccc5ccccc45)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ATM Q13315 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FADS1 O60427 1/20 0.49
RAB9A P51151 1/20 0.44
DHFR P00374 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL296012 1.00 CDC25B (0.53) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL13291245 0.92 KDM4E (0.45) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL14580820 0.92 ATM (0.48) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL29638465 0.92 CDC25B (0.53) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL17056808 0.92 CDC25B (0.53) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL9912853 0.92 CDC25B (0.56) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL19660770 0.91 ATM (0.47) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL18019625 0.90 KDM4E (0.58) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL23423493 0.90 ATM (0.51) CDC25BALDH1A1ATMHSD17B10TP53
SCHEMBL14029447 0.90 ATM (0.51) CDC25BALDH1A1ATMHSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557880-A Condensed-cyclic compound, light-emitting device, and electronic apparatus including the same 三星显示有限公司 2023-01-03 CN disclosed
WO-2022206422-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING SAME, ORGANIC ELECTROLUMINESCENT APPARATUS, AND ELECTRONIC DEVICE 北京八亿时空液晶科技股份有限公司 2022-10-06 WO disclosed