SCHEMBL22687364

SCHEMBL22687364

c1cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-n3nc4ccccc4n3)c2)cc(-n2nc3ccccc3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
ALOX5 P09917 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
HTT P42858 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SRC P12931 1/20 0.34
OPRD1 P41143 2/20 0.34
HTR1A P08908 3/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR7 P34969 3/20 0.33
DRD3 P35462 3/20 0.33

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
SCHEMBL30442871 1.00 KDM4E (0.40) KDM4EHPGDESR1ESR2HSD17B1
SCHEMBL22686630 0.93 KDM4E (0.39) KDM4EHPGDESR1ESR2HSD17B1
SCHEMBL22687672 0.89 KDM4E (0.44) KDM4EHPGDESR1ESR2HSD17B1
SCHEMBL22687027 0.89 KDM4E (0.44) KDM4EHPGDESR1ESR2HSD17B1
SCHEMBL30443096 0.89 KDM4E (0.44) KDM4EHPGDESR1ESR2HSD17B1
SCHEMBL22007456 0.89 KDM4E (0.52) KDM4EHPGDALOX5HTTALDH1A1
SCHEMBL22181970 0.89 KDM4E (0.52) KDM4EHPGDALOX5HTTALDH1A1
SCHEMBL22653496 0.88 KDM4E (0.50) KDM4EHPGDHTTOPRD1ALDH1A1
SCHEMBL30442802 0.88 KDM4E (0.50) KDM4EHPGDHTTOPRD1ALDH1A1
SCHEMBL22007462 0.86 KDM4E (0.44) KDM4EHPGDESR1ESR2ALOX5

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
US-20200365809-A1 ORGANIC EL DEVICE, AMINE COMPOUND HAVING BENZAZOLE RING STRUCTURE, AND METHOD IN WHICH SAID AMINE COMPOUND IS USED IN CAPPING LAYER OF ORGANIC EL DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2020-11-19 US disclosed