SCHEMBL28586019

SCHEMBL28586019

[c]1ccccc1-c1cccc2cnc3ccccc3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
GPR3 P46089 1/20 0.46
PDPK1 O15530 1/20 0.43
CYP1A2 P05177 3/20 0.37
TOP2A P11388 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MET P08581 1/20 0.30
GRM4 Q14833 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28599544 0.80 GPR3 (0.42) KDM4EGPR3PDPK1CYP1A2TOP2A
SCHEMBL1270805 0.78 HSD17B10 (0.42) CYP1A2ALDH1A1POLBHPGDTSHR
SCHEMBL28603970 0.78 KDM4E (0.47) KDM4EGPR3PDPK1CYP1A2TOP2A
SCHEMBL28592413 0.76 KDM4E (0.41) KDM4EGPR3CYP1A2ALDH1A1HPGD
SCHEMBL15511226 0.75 MAPT (0.44) KDM4ECYP1A2ALDH1A1POLBCYP3A4
SCHEMBL28603609 0.74 KDM4E (0.44) KDM4EGPR3PDPK1CYP1A2TOP2A
SCHEMBL147800 0.73 POLB (0.40) KDM4ECYP1A2ALDH1A1GAAPOLB
SCHEMBL1369327 0.73 ALDH1A1 (0.38) CYP1A2ALDH1A1HPGDTSHRMAPK1
SCHEMBL21295844 0.71 NPC1 (0.46) KDM4ECYP1A2ALDH1A1GRM4HPGD
SCHEMBL18063310 0.71 KDM4E (0.49) KDM4EADORA3ALDH1A1GAAPOLB

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-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed