SCHEMBL6793430

SCHEMBL6793430

O=C(c1ccc(C(=O)c2cccs2)cc1)c1cccs1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.83
HPGD P15428 7/20 0.81
HTT P42858 2/20 0.81
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
ALDH1A1 P00352 4/20 0.66
LMNA P02545 4/20 0.66
CYP2C9 P11712 2/20 0.66
PTGS1 P23219 2/20 0.66
PTGS2 P35354 2/20 0.66
KDM4E B2RXH2 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
TSHR P16473 1/20 0.66
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TP53 P04637 3/20 0.62
MAPT P10636 2/20 0.62
DAO P14920 1/20 0.60
ALOX5 P09917 1/20 0.59

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
SCHEMBL7485708 0.92 HPGDS (0.71) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL8439895 0.92 HPGDS (0.78) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL158020 0.91 HPGDS (1.00) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL4420563 0.90 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL11306574 0.90 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL2760408 0.90 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL6326690 0.90 HPGD (1.00) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL5591866 0.90 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL2074541 0.90 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A
SCHEMBL7075260 0.90 HPGDS (0.69) HPGDSHPGDHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354836-A Polyarylene ether ketone, where at least one ring of the aromatic ketone unit is a thiophene ring THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-10-11 US claimed
US-20040038076-A1 Poly (paraphenylenevinylene) derivatives and their use as electroluminescence materials KREUDER WILLI (DE) 2004-02-26 US disclosed
EP-0783555-B1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS COVION ORGANIC SEMICONDUCTORS (DE) 2002-12-11 EP disclosed
US-20010031378-A1 Poly (paraphenylenevinylene) derivatives and their use as electroluminescence materials KREUDER WILLI (DE) 2001-10-18 US disclosed
US-5420224-A Films and fibers with benzoxazole groups THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1995-05-30 US disclosed
US-5354836-A Polyarylene ether ketone, where at least one ring of the aromatic ketone unit is a thiophene ring THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1994-10-11 US disclosed
US-5266677-A Aromatic polyamides UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1993-11-30 US disclosed