SCHEMBL17879131

SCHEMBL17879131

c1ccc(N(c2ccccc2)c2ccc(-c3nc4cc5cc6cc7nc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)c(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)nc7cc6nc5cc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
L3MBTL1 Q9Y468 6/20 0.41
KMT2A Q03164 2/20 0.41
PDE10A Q9Y233 1/20 0.41
ATM Q13315 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PSMB5 P28074 1/20 0.41
LMNA P02545 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
CYP1A2 P05177 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
SCHEMBL18216994 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL17879128 0.91 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL17879129 0.90 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL11947002 0.88 KDM4E (0.47) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL12690587 0.86 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL4750621 0.85 KDM4E (0.49) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL274397 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL12207629 0.82 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL275097 0.82 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1KMT2APDE10A
SCHEMBL29634908 0.82 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1KMT2APDE10A

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-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 US disclosed