SCHEMBL17452016

SCHEMBL17452016

S=P(c1ccccc1)(c1ccc(-c2cc3cccnc3c3c2ccc2ccccc23)cc1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.41
▸ CCR1 P32246 5/20 0.34
▸ CCR8 P51685 5/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 6/20 0.33
▸ MAPT P10636 5/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CCR5 P51681 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GMNN O75496 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32

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
SCHEMBL17451999 0.92 CCR1 (0.38) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17451954 0.88 TOP1 (0.44) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17452008 0.88 CCR1 (0.35) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17452007 0.86 TOP1 (0.47) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17452011 0.86 TOP1 (0.44) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17451933 0.84 TOP1 (0.38) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17451976 0.84 TOP1 (0.44) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17452014 0.83 TOP1 (0.42) TOP1CCR1CCR8ALDH1A1KDM4E
SCHEMBL17451941 0.80 TOP1 (0.36) TOP1CCR1CCR8L3MBTL1ALDH1A1
SCHEMBL17451956 0.77 CCR1 (0.40) TOP1CCR1CCR8L3MBTL1ALDH1A1

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-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
US-20160020405-A1 ORGANIC LIGHT EMITTING ELEMENT AND ORGANIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-21 — — US disclosed
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