SCHEMBL21676097

SCHEMBL21676097

c1ccc(-n2c3ccccc3c3c2c2ccccc2c2c4ccccc4n(-c4ccc5ccccc5c4)c23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.34
KDR P35968 1/20 0.34
BACE1 P56817 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
BRCA1 P38398 1/20 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
SCHEMBL17427658 1.00 KDM4E (0.43) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL21108815 0.94 KDM4E (0.48) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL17451664 0.93 KDM4E (0.47) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL17427585 0.93 KDM4E (0.47) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL23741438 0.91 PMM2 (0.39) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL21109023 0.91 KDM4E (0.46) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL21108741 0.91 KDM4E (0.46) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL21108813 0.91 KDM4E (0.46) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL20865395 0.91 KDM4E (0.38) KDM4EATML3MBTL1SIGMAR1HPGD
SCHEMBL22187455 0.91 KDM4E (0.38) KDM4EATML3MBTL1SIGMAR1HPGD

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
WO-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed