SCHEMBL14500751

SCHEMBL14500751

COc1ccc2nc(-c3cc(C)c(C)c(C)c3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NQO1 P15559 1/20 0.50
MAOB P27338 3/20 0.46
MAOA P21397 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL14500754 0.86 NPC1 (0.53) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL14500753 0.86 NCF1 (0.54) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4486496 0.83 KDM4E (0.70) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL14500755 0.83 NPC1 (0.59) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27894653 0.82 NCF1 (0.55) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30228475 0.81 KDM4E (0.66) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5682765 0.81 KDM4E (0.66) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL14500752 0.81 NCF1 (0.49) NCF1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL13298973 0.80 CYP1A2 (0.53) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL3012991 0.79 MAP4K4 (0.57) NCF1SMN1; SMN2KDM4ENPC1RAB9A

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-8530059-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2013-09-10 US disclosed
US-8530059-B2 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2013-09-10 US disclosed
US-20070104979-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2007-05-10 US disclosed
US-20070104979-A1 Red phosphorescent compound and organic electroluminescent device using the same LG DISPLAY CO., LTD. (KR) 2007-05-10 US disclosed