SCHEMBL21394558

SCHEMBL21394558

c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5ccccc5c5ccccc45)n3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 2/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GP6 Q9HCN6 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL21394110 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL24306965 0.98 CYP11B1 (0.45) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL27455636 0.98 CYP11B1 (0.47) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL21394557 0.97 CYP11B1 (0.46) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL24306963 0.97 CYP11B1 (0.46) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL17932634 0.93 CYP11B1 (0.50) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL16305263 0.93 CYP11B1 (0.46) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL21394178 0.92 CYP11B1 (0.49) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL21394179 0.92 CYP11B1 (0.49) CYP11B1ALDH1A1HPGDMAPTL3MBTL1
SCHEMBL15458302 0.92 CYP11B1 (0.49) CYP11B1ALDH1A1HPGDMAPTL3MBTL1

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-11239425-B2 Organic light emitting device LG CHEM, LTD. (KR) 2022-02-01 US disclosed
US-20190296243-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-09-26 US disclosed