SCHEMBL4444860

SCHEMBL4444860

O=Cc1ccc2sccc2c1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.44
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ERN1 O75460 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
PTGS1 P23219 1/20 0.31
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL6980313 0.82 CYP2A6 (0.43) CYP2A6KDM4EMAPTERN1TDP1
SCHEMBL6975978 0.78 CYP2A6 (0.44) CYP2A6KDM4EMAPTERN1ALDH1A1
SCHEMBL6984412 0.78 CYP2A6 (0.47) CYP2A6KDM4EMAPTTDP1ALDH1A1
SCHEMBL7067833 0.78 ERN1 (0.47) CYP2A6KDM4EERN1
SCHEMBL6973728 0.78 CYP2A6 (0.43) CYP2A6KDM4EMAPTTDP1ALDH1A1
SCHEMBL31280833 0.78 CYP2A6 (0.43) CYP2A6ERN1
SCHEMBL24799787 0.74 ERN1 (0.43) CYP2A6KDM4EMAPTERN1TDP1
SCHEMBL7067241 0.74 CA1 (0.42) CYP2A6KDM4EMAPTERN1ALDH1A1
SCHEMBL26491612 0.74 CYP2A6 (0.40) CYP2A6KDM4EMAPTERN1ALDH1A1
SCHEMBL2263913 0.73 CYP2A6 (0.57) CYP2A6KDM4EMAPTERN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2132213-B1 SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH UNIV KENTUCKY RES FOUND (US) 2013-05-15 EP disclosed
EP-2132213-A1 SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH University of Kentucky Research Foundation (US) 2009-12-16 EP disclosed
WO-2008107089-A1 SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-09-12 WO disclosed
US-7385221-B1 Silylethynylated heteroacenes and electronic devices made therewith UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2008-06-10 US disclosed
US-20080128680-A1 SILYLETHYNYLATED HETEROACENES AND ELECTRONIC DEVICES MADE THEREWITH UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2008-06-05 US disclosed