SCHEMBL13720439

SCHEMBL13720439

c1ccc(N(c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2ccc(N(c3ccccc3)c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
CYP1A2 P05177 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 4/20 0.41
GLA P06280 2/20 0.41
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38
APAF1 O14727 1/20 0.38

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
SCHEMBL13720783 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL6123822 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL13721405 1.00 ALDH1A1 (0.45) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL6123825 0.98 ALDH1A1 (0.42) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL29904929 0.96 ALDH1A1 (0.43) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
Benzene SCHEMBL4542530 0.96 ALDH1A1 (0.43) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL2757438 0.96 ALDH1A1 (0.43) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL7065426 0.92 ALDH1A1 (0.38) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL75967 0.92 ALDH1A1 (0.38) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1
SCHEMBL6123842 0.91 ALDH1A1 (0.38) ALDH1A1CYP1A2L3MBTL1KDM4ETDP1

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-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed
US-7576484-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2009-08-18 US disclosed