SCHEMBL16683778

SCHEMBL16683778

CCCCCCCCc1ccc(-c2c3nc(C)sc3c(-c3ccc(CCCCCCCC)s3)c3nc(C)sc23)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ GPR35 Q9HC97 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ALOX12 P18054 1/20 0.31

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
SCHEMBL16683766 0.78 KDM4E (0.38) KDM4EKCNH2MAPTSMN1; SMN2GPR35
SCHEMBL12925335 0.77 ALDH1A1 (0.41) KDM4EHSD17B10KCNH2MAPTMEN1
SCHEMBL16683779 0.76 PTGS2 (0.33) KDM4EHSD17B10MAPK1AKT1GPR35
SCHEMBL785181 0.76 KCNH2 (0.39) KDM4EHSD17B10KCNH2ALDH1A1POLB
SCHEMBL17791893 0.76 KCNH2 (0.39) KDM4EHSD17B10KCNH2ALDH1A1POLB
SCHEMBL12622287 0.75 ESR1 (0.39) KDM4EHSD17B10KCNH2MAPTMEN1
SCHEMBL13619686 0.75 ESR1 (0.39) KDM4EHSD17B10KCNH2MAPTMEN1
SCHEMBL6524717 0.75 ESR1 (0.39) KDM4EHSD17B10KCNH2MAPTMEN1
SCHEMBL14423852 0.75 ESR1 (0.39) KDM4EHSD17B10KCNH2MAPTMEN1
SCHEMBL5149211 0.75 ESR1 (0.39) KDM4EHSD17B10KCNH2MAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015060183-A1 ORGANIC SEMICONDUCTOR MATERIAL 東洋紡株式会社 2015-04-30 — — WO disclosed
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