SCHEMBL13849372

SCHEMBL13849372

CC1=C(C)CCC(c2ccc(N(c3ccccc3)c3ccccc3)cc2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APP P05067 2/20 0.38
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL13700677 0.80 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13515165 0.74 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL24260023 0.72 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL13145501 0.72 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL20390294 0.72 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL258462 0.70 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL126831 0.70 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL168018 0.70 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL14621039 0.70 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL12566289 0.70 ALDH1A1 (0.62) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2

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
EP-2055709-A2 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-06 EP disclosed
EP-2053112-A2 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-04-29 EP disclosed