SCHEMBL15089004

SCHEMBL15089004

CC1(C)c2ccccc2-c2cc3c(cc21)N(c1ccccn1)c1cccc2cccc-3c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
CASP1 P29466 2/20 0.38
CASP7 P55210 1/20 0.38
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 3/20 0.34
LMNA P02545 2/20 0.34
MITF O75030 1/20 0.34
CASP6 P55212 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL15089005 0.87 CNR2 (0.36) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15088988 0.86 PDE6D (0.37) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089212 0.85 KDM4E (0.43) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15088998 0.83 MEN1 (0.38) KDM4EALDH1A1GAACASP1MEN1
SCHEMBL15088982 0.83 PDK2 (0.36) GAAMEN1MAPTHTTPDE6D
SCHEMBL15088979 0.83 ALDH1A1 (0.41) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL15089009 0.83 PDE6D (0.35) MEN1KMT2APDE6DPGR
SCHEMBL15088985 0.82 PDE6D (0.41) KDM4EALDH1A1GAACASP1CASP7
SCHEMBL15089100 0.82 PDK2 (0.35) GAAMEN1MAPTHTTHSD17B10
SCHEMBL15088983 0.82 KDM4E (0.30) KDM4EMEN1KMT2AMAPTPDE6D

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