SCHEMBL9972157

SCHEMBL9972157

CCCCCCc1cc(-c2sc(-c3sc(-c4sccc4CCCCCCBr)cc3CCCCCCBr)cc2CCCCCC)sc1Br

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
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
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30
GPR35 Q9HC97 2/20 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
SCHEMBL12622735 0.95 TYR (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL16976881 0.91 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL16139824 0.91 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL9972162 0.90
SCHEMBL12887125 0.85 ALOX5 (0.38) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL863202 0.84 THRA (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL15724615 0.83 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL15724622 0.83 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL85811 0.82 TYR (0.35) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12930337 0.81 GPR35 (0.35) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120152355-A1 ORGANIC SOLAR CELL INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-06-21 US disclosed