SCHEMBL22115508

SCHEMBL22115508

N#Cc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 7/20 0.45
ABCB1 P08183 2/20 0.42
PIM1 P11309 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42

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
SCHEMBL21131857 0.89 ABCG2 (0.50) ABCG2ABCB1ALDH1A1HSD17B10TSHR
SCHEMBL26592104 0.88 ABCG2 (0.44) ABCG2ABCB1PIM1ALDH1A1HSD17B10
SCHEMBL26592161 0.88 ABCG2 (0.44) ABCG2ABCB1PIM1ALDH1A1HSD17B10
SCHEMBL26592087 0.88 ABCG2 (0.44) ABCG2ABCB1PIM1ALDH1A1HSD17B10
SCHEMBL26591977 0.87 ABCG2 (0.44) ABCG2ABCB1ALDH1A1HSD17B10TSHR
SCHEMBL26592091 0.87 ABCG2 (0.43) ABCG2ABCB1ALDH1A1HSD17B10TSHR
SCHEMBL26220122 0.86 ABCG2 (0.46) ABCG2ABCB1ALDH1A1HSD17B10TSHR
SCHEMBL20648224 0.86 ABCG2 (0.46) ABCG2ABCB1ALDH1A1HSD17B10TSHR
SCHEMBL19939319 0.86 ABCG2 (0.52) ABCG2ABCB1ALDH1A1HSD17B10TSHR
SCHEMBL27368623 0.86 CYP1A2 (0.44) ABCG2ABCB1PIM1ALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210210694-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-07-08 US disclosed
US-10950801-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2021-03-16 US disclosed
EP-3754734-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2020-12-23 EP disclosed
US-20200287142-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM LTD. (KR) 2020-09-10 US disclosed
EP-3667749-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-06-17 EP disclosed