SCHEMBL863202

SCHEMBL863202

CCCCCCc1cc(-c2sc(Br)cc2CCCCBr)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL15247276 0.93 ALOX5 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12887140 0.86 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL9972157 0.84 MEN1 (0.31) THRATHRBMEN1TP53CYP3A4
SCHEMBL15724617 0.82 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL3774000 0.81 GPR35 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL863364 0.81 LTA4H (0.43) CYP3A4TSHRHTT
SCHEMBL4388195 0.81 ALOX5 (0.41) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL1419676 0.81 ALOX5 (0.41) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL2308334 0.81 ALOX5 (0.41) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL4584517 0.81 ALOX5 (0.41) MEN1TP53CYP3A4ALOX5MAPT

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-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
US-8847068-B2 Compositions, methods, and systems comprising poly(thiophenes) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-30 US disclosed
WO-2012044778-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-04-05 WO disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed
US-20120073662-A1 COMPOSITIONS, METHODS, AND SYSTEMS COMPRISING POLY(THIOPHENES) MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-29 US disclosed