SCHEMBL13399461

SCHEMBL13399461

COc1cccc(-c2ccc3cc(F)c(C)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TOP1 P11387 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
RAB9A P51151 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13399662 0.95 MAP4K4 (0.47) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13399544 0.90 ADORA2A (0.52) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13870903 0.89 MAP4K4 (0.51) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13399560 0.83 BCHE (0.40) KDM4ESMN1; SMN2TP53RAB9ANPC1
SCHEMBL12313234 0.82 MAP4K4 (0.44) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13399143 0.82 PDE10A (0.52) MAP4K4KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13870960 0.82 MAP4K4 (0.45) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13870935 0.81 PDGFRB (0.61) MAP4K4KDM4EALDH1A1MEN1KMT2A
SCHEMBL13399134 0.81 MAP4K4 (0.52) MAP4K4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3012991 0.80 MAP4K4 (0.57) MAP4K4KDM4EALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999476-B2 Red phosphorescent composition and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-8999476-B2 Red phosphorescent composition and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2015-04-07 US disclosed
US-20100102716-A1 Red color phosphorescent material and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2010-04-29 US disclosed
US-20100102716-A1 Red color phosphorescent material and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2010-04-29 US disclosed