SCHEMBL17811577

SCHEMBL17811577

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)c3ccccc3-c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTGS2 P35354 1/20 0.36
CRHBP P24387 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
TLR9 Q9NR96 1/20 0.36
APP P05067 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL29776744 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL29776719 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16385505 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL17630191 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL15807417 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL29776710 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16385501 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL16385445 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL20707400 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL15807474 0.98 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4

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-20160163982-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed
US-20160163982-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-09 US disclosed