SCHEMBL13358643

SCHEMBL13358643

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(/C=C/c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
CTNNB1 P35222 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 2/20 0.32

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
SCHEMBL13358572 0.95 MEN1 (0.34) APPMEN1USP2ALDH1A1MAPT
SCHEMBL13358587 0.95 PDK2 (0.37) APPMEN1USP2ALDH1A1MAPT
SCHEMBL21368066 0.90 CRHBP (0.34) MEN1USP2ALDH1A1MAPTMAPK1
SCHEMBL23546655 0.90 CRHBP (0.34) MEN1USP2ALDH1A1MAPTMAPK1
SCHEMBL21368468 0.90 CRHBP (0.34) MEN1USP2ALDH1A1MAPTMAPK1
SCHEMBL13358232 0.89 PDK2 (0.34) APPMEN1USP2ALDH1A1MAPT
SCHEMBL13358491 0.89 MEN1 (0.35) APPMEN1USP2ALDH1A1MAPT
SCHEMBL13358305 0.89 MEN1 (0.35) APPMEN1USP2ALDH1A1MAPT
SCHEMBL13371928 0.89 MEN1 (0.35) APPMEN1USP2ALDH1A1MAPT
SCHEMBL21368473 0.88 PDK2 (0.34) MEN1USP2MAPTKMT2AATM

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-2010058995-A1 ELECTROLUMINESCENT DEVICE USING THE ELECTROLUMINESCENT COMPOUNDS GRACEL DISPLAY INC. (KR) 2010-05-27 WO disclosed
EP-2189508-A2 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-05-26 EP disclosed