SCHEMBL12715532

SCHEMBL12715532

CCCCCCc1csc(-c2ccc(-c3cc(CCCCCC)cs3)c3nc(-c4cccs4)c(-c4cccs4)nc23)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.39
▸ RPS6KB2 Q9UBS0 4/20 0.37
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ DHFR P00374 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GPR3 P46089 1/20 0.34
▸ SREBF2 Q12772 1/20 0.34
▸ HPGD P15428 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
SCHEMBL23724054 0.89 ADK (0.39) ADKRPS6KB2ADORA2AADORA1DHFR
SCHEMBL12715522 0.89 ADK (0.38) ADKRPS6KB2ADORA2AADORA1DHFR
SCHEMBL15072108 0.85 GPR84 (0.46) ALDH1A1GPR3
SCHEMBL12131325 0.85 GPR84 (0.46) ALDH1A1GPR3
SCHEMBL12715534 0.85 ADK (0.36) ADKHPGD
SCHEMBL15052402 0.85 GPR3 (0.36) ADORA2AKDM4EALDH1A1GPR3
SCHEMBL12715476 0.84 ADK (0.35) ADK
SCHEMBL23723956 0.84 ADK (0.36) ADKRPS6KB2ADORA2AADORA1DHFR
SCHEMBL18044490 0.82 KDM4E (0.39) ADORA2AKDM4EALDH1A1GAA
SCHEMBL27911329 0.82 KDM4E (0.39) ADORA2AKDM4EALDH1A1GAA

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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