SCHEMBL14036992

SCHEMBL14036992

c1ccc(C(=C(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4ccc(C(=C(c5ccccc5)c5ccccc5)c5ccccc5)cc4)cc3)cc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL14018343 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL7699921 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL13515162 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL30315008 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL13480599 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL15858536 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL2325775 0.97 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL28291508 0.95 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL21998536 0.93 MAPT (0.46) ALDH1A1L3MBTL1MAPTKDM4ECYP1A2
SCHEMBL21998530 0.93 MAPT (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1992672-A1 Organic electroluminescent device TDK Corporation (JP) 2008-11-19 EP disclosed