SCHEMBL7247455

SCHEMBL7247455

c1ccc(N(c2ccccc2)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHBP P24387 1/20 0.40
ATM Q13315 1/20 0.40
CRHR2 Q13324 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PKM P14618 1/20 0.40
APP P05067 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL17844313 0.97 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL28722919 0.89 ALDH1A1 (0.59) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
Benzene SCHEMBL28236695 0.89 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL329168 0.89 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL29673955 0.89 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL21168411 0.87 MGLL (0.39) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL21364922 0.86 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL7484897 0.86 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL21168443 0.86 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4
SCHEMBL21168448 0.86 ALDH1A1 (0.41) ALDH1A1TDP1L3MBTL1CYP1A2CYP3A4

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
US-6623872-B2 Including a hole injecting layer comprising a specific triarylamine oligomer so that low driving voltage, stable light emission, high quality display images and high heat resistance are achievable. TDK CORPORATION (JP) 2003-09-23 US disclosed
US-20020102434-A1 Organic EL device TDK CORPORATION (JP) 2002-08-01 US disclosed