SCHEMBL15089005

SCHEMBL15089005

CC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccc(-c2ccccn2)cn1)c1cccc2cccc-3c12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PDK2 Q15119 1/20 0.35
PDE6D O43924 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
TNKS O95271 1/20 0.32
ACVR1B P36896 1/20 0.32
TGFBR1 P36897 1/20 0.32
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
GRM5 P41594 1/20 0.31
HTR2C P28335 1/20 0.31
PDE5A O76074 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
SCHEMBL15089229 0.87 CNR2 (0.35) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL15089004 0.87 KDM4E (0.45) KDM4EALDH1A1GAAMAPTPDE6D
SCHEMBL15088982 0.87 PDK2 (0.36) GAAMAPTPDK2PDE6DTNKS
SCHEMBL15089009 0.82 PDE6D (0.35) PDE6D
SCHEMBL15089013 0.81 CYP2A6 (0.36) KDM4EGAAMAPTPDK2PDE6D
SCHEMBL15088998 0.80 MEN1 (0.38) KDM4EALDH1A1GAAMAPTPDK2
SCHEMBL15088988 0.79 PDE6D (0.37) KDM4EALDH1A1GAAPDE6DCASP1
SCHEMBL15088993 0.79
SCHEMBL15088987 0.79 HTR2C (0.33) PDK2HTR2C
SCHEMBL15089045 0.78 CYP19A1 (0.37) GAAMAPTPDK2PDE6D

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
WO-2013100497-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 WO disclosed