SCHEMBL18264757

SCHEMBL18264757

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5nc(-c6cccc7ccccc67)c6ccc7ccccc7c6n5)c4)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
PTGER4 P35408 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PDE10A Q9Y233 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17828815 0.98 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL17829014 0.94 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL17828857 0.94 ALDH1A1 (0.34) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL17828882 0.93 ALDH1A1 (0.34) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL17829205 0.93 ATM (0.38) KDM4EATML3MBTL1PTGER4CYP1A1
SCHEMBL18213944 0.93 ATM (0.38) KDM4EATML3MBTL1PTGER4CYP1A1
SCHEMBL17829130 0.93 ATM (0.38) KDM4EATML3MBTL1PTGER4CYP1A1
SCHEMBL17879012 0.93 ATM (0.38) KDM4EATML3MBTL1PTGER4CYP1A1
SCHEMBL17828864 0.93 ATM (0.38) KDM4EATML3MBTL1PTGER4CYP1A1
SCHEMBL17829026 0.92 KDM4E (0.35) KDM4EATML3MBTL1ALDH1A1MAPT

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
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed