SCHEMBL21343772

SCHEMBL21343772

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ATM Q13315 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
NFKB1 P19838 2/20 0.47
MAPK1 P28482 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA3 P0DMS8 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA1 P30542 2/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL30103566 0.98 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL20871989 0.98 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL17425632 0.98 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL24264024 0.98 MAPT (0.46) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL18216709 0.96 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL16441438 0.96 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL24525894 0.95 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL21563813 0.95 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL24217269 0.95 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1
SCHEMBL17425653 0.95 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2TSHRL3MBTL1

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
WO-2020071863-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-09 WO disclosed
US-20190280216-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING DEVICE MERCK PATENT GMBH (DE) 2019-09-12 US disclosed