SCHEMBL17052016

SCHEMBL17052016

CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cccc(-c5cc(-c6ccc(-c7ccc(C)cc7)cc6)nc(-c6ccccc6)n5)c4)nc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
ALDH1A1 P00352 9/20 0.39
HPGD P15428 8/20 0.39
MEN1 O00255 8/20 0.39
KMT2A Q03164 8/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 2/20 0.37
LMNA P02545 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HSP90AA1 P07900 2/20 0.37
GLA P06280 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 1/20 0.36
LTB4R Q15722 1/20 0.35
NTSR1 P30989 1/20 0.35
RECQL P46063 1/20 0.34
SLC2A1 P11166 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
SCHEMBL17051769 0.99 AGTR1 (0.39) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17052026 0.97 MEN1 (0.39) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17051781 0.97 MEN1 (0.39) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17052024 0.97 MEN1 (0.39) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17051770 0.96 MEN1 (0.38) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17052017 0.96 MEN1 (0.38) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17051988 0.96 AGTR1 (0.42) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17051992 0.95 MEN1 (0.40) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL17051683 0.95 AGTR1 (0.41) AGTR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9920515 0.94 AGTR1 (0.44) AGTR1ALDH1A1HPGDMEN1KMT2A

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-10038143-B2 Polymer compound, material for electronic elements, material for organic electroluminescent elements, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2018-07-31 US disclosed
US-20150249215-A1 POLYMER COMPOUND, MATERIAL FOR ELECTRONIC ELEMENTS, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-09-03 US disclosed