SCHEMBL13699893

SCHEMBL13699893

CCc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
HSD17B1 P14061 2/20 0.38
DCLRE1A Q6PJP8 1/20 0.38
DCLRE1B Q9H816 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL30380433 0.86 DCLRE1A (0.47) ALDH1A1MAPTL3MBTL1CYP1A2MEN1
SCHEMBL28992451 0.86 DCLRE1A (0.47) ALDH1A1MAPTL3MBTL1CYP1A2MEN1
SCHEMBL10304830 0.86 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1CYP1A2KDM4E
SCHEMBL13760149 0.81 MAPT (0.45) ALDH1A1MAPTCYP1A2CYP3A4TDP1
SCHEMBL2147419 0.80 DCLRE1A (0.40) ALDH1A1MAPTL3MBTL1CYP1A2KDM4E
SCHEMBL10916725 0.79 HSD17B1 (0.45) HSD17B1BCL2
SCHEMBL9136073 0.79 ALDH1A1 (0.37) ALDH1A1MAPTL3MBTL1CYP1A2KDM4E
SCHEMBL12593233 0.77 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2KDM4E
SCHEMBL12593212 0.77 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2KDM4E
SCHEMBL14621039 0.77 ALDH1A1 (0.62) ALDH1A1MAPTL3MBTL1CYP1A2KDM4E

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-2098532-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-09-09 EP disclosed