SCHEMBL17990799

SCHEMBL17990799

c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(oc6ccc7ccccc7c65)c43)nc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 8/20 0.42
HPGD P15428 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EGFR P00533 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
ABCG2 Q9UNQ0 4/20 0.36
CYP1A1 P04798 3/20 0.36
CYP1A2 P05177 3/20 0.36
FYN P06241 1/20 0.36
MAPK3 P27361 1/20 0.36
AHR P35869 1/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 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
SCHEMBL18868283 0.93 KDM4E (0.37) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL18868282 0.91 KDM4E (0.37) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL17299653 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL18868190 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL18868275 0.80 KDM4E (0.38) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL17426601 0.80 EGFR (0.49) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL18868280 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDTDP1NPSR1
SCHEMBL17990645 0.79 ABCG2 (0.37) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL17990610 0.79 ABCG2 (0.40) KDM4EALDH1A1HPGDTDP1HTT
SCHEMBL22011394 0.78 KDM4E (0.40) KDM4EALDH1A1HPGDTDP1NPSR1

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed