SCHEMBL12715533

SCHEMBL12715533

CCCCCCc1cc(-c2ccc(-c3cc(CCCCCC)c(Br)s3)c3nc(-c4cccs4)c(-c4cccs4)nc23)sc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.41
▸ HPGD P15428 5/20 0.35
▸ RPS6KB2 Q9UBS0 5/20 0.35
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ DHFR P00374 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAPDH P04406 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL12715530 0.95 ADK (0.38) ADKHPGDRPS6KB2ADORA2AADORA1
SCHEMBL15051715 0.86 KCNH2 (0.34) DHFRMEN1ALOX15KMT2ATDP1
SCHEMBL12715539 0.86 ADK (0.37) ADKHPGD
SCHEMBL15052258 0.84 GPR84 (0.43) HPGDDHFRKDM4EALDH1A1GAA
SCHEMBL12131282 0.84 GPR84 (0.43) HPGDDHFRKDM4EALDH1A1GAA
SCHEMBL15051799 0.84 GPR84 (0.43) HPGDDHFRKDM4EALDH1A1GAA
SCHEMBL15052877 0.82 KDM4E (0.40) HPGDADORA2AKDM4EALDH1A1GAA
SCHEMBL12715522 0.81 ADK (0.38) ADKHPGDRPS6KB2ADORA2AADORA1
SCHEMBL15072058 0.81 TYR (0.31) MEN1ALOX15KMT2ATDP1
SCHEMBL12715477 0.80 ADK (0.37) ADKHPGDRPS6KB2ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923529-B2 Oligothiophene-arylene derivatives and organic thin film transistors using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-04-12 — — US disclosed
US-20090256143-A1 OLIGOTHIOPHENE-ARYLENE DERIVATIVES AND ORGANIC THIN FILM TRANSISTORS USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-10-15 — — US disclosed
US-7541424-B2 Oligothiophene-arylene derivatives and organic thin film transistors using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-06-02 — — US disclosed
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