SCHEMBL13341815

SCHEMBL13341815

CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
TLR9 Q9NR96 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP2A6 P11509 1/20 0.30

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
SCHEMBL18353785 0.97 PDK2 (0.38) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL2606530 0.96 PDK2 (0.37) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL13341817 0.96 ALDH1A1 (0.38) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL19197425 0.95 PDK2 (0.40) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL2606535 0.94 PDK2 (0.35) PDK2L3MBTL1ALDH1A1CYP3A4TDP1
SCHEMBL14073273 0.94 ALDH1A1 (0.37) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL24527187 0.94 PDK2 (0.36) PDK2L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL19197350 0.94 ALDH1A1 (0.39) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL10010140 0.94 PDK2 (0.37) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL16801581 0.94 PDK2 (0.40) PDK2L3MBTL1ALDH1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
US-20160211459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-07-21 US disclosed
WO-2010062107-A1 ORGANIC ELECTROLUMINSCENT DEVICE USING ELECTROLUMINESCENT COMPOUNDS GRACEL DISPLAY INC. (KR) 2010-06-03 WO disclosed