SCHEMBL17052017

SCHEMBL17052017

CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3cc(-c4cccc(-c5cc(-c6ccc(-c7ccc(C)cc7)cc6)nc(-c6ccccc6)n5)c4)cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.38
KMT2A Q03164 7/20 0.38
AGTR1 P30556 1/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 7/20 0.38
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 2/20 0.36
LTB4R Q15722 2/20 0.36
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HSP90AA1 P07900 2/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA1 P30542 1/20 0.35
NTSR1 P30989 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL17051770 1.00 MEN1 (0.38) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17051781 0.99 MEN1 (0.39) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17052024 0.99 MEN1 (0.39) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17052026 0.99 MEN1 (0.39) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17051769 0.97 AGTR1 (0.39) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17051987 0.97 MEN1 (0.40) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17051712 0.97 MEN1 (0.38) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17051685 0.97 MEN1 (0.40) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17051992 0.97 MEN1 (0.40) MEN1KMT2AAGTR1ALDH1A1HPGD
SCHEMBL17052016 0.96 AGTR1 (0.39) MEN1KMT2AAGTR1ALDH1A1HPGD

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