SCHEMBL17875437

SCHEMBL17875437

Cc1ccc(-c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.40
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FLT3 P36888 1/20 0.36
POLB P06746 1/20 0.36
PGR P06401 1/20 0.36
AGTR1 P30556 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
PDE10A Q9Y233 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL17875526 0.95 PDK2 (0.41) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL13084044 0.88 PDK2 (0.39) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL13084009 0.88 PDK2 (0.43) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL13084045 0.88 PDK2 (0.39) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL13084043 0.88 MEN1 (0.40) PDK2ALDH1A1KDM4EHPGDMEN1
SCHEMBL17875542 0.88 PDK2 (0.41) PDK2ALDH1A1POLBPGRTSHR
SCHEMBL13084047 0.88 MEN1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17875496 0.88 NPC1 (0.36) PDK2ALDH1A1KDM4EHPGDMAPT
SCHEMBL13083900 0.88 MEN1 (0.40) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13642972 0.87 ACACA (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508585-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT EMITTING DIODE CHEIL IND INC (KR) 2016-06-29 EP disclosed