SCHEMBL13712368

SCHEMBL13712368

CCCCCCc1cc(-c2sc(-c3c(F)c(F)c(-c4cc(CCCCCC)c(-c5ccc(Br)s5)s4)c(F)c3F)cc2CCCCCC)sc1Br

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18665536 0.84 MEN1 (0.31) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12018841 0.84 TYR (0.37) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12098779 0.82 — —
SCHEMBL15247276 0.80 ALOX5 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL14564092 0.79 TYR (0.37) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12264416 0.79 TYR (0.37) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL15724617 0.78 ALOX5 (0.36) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL18267378 0.77 MEN1 (0.33) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12921552 0.77 MEN1 (0.35) MEN1TP53CYP3A4ALOX5MAPT
SCHEMBL12622735 0.76 TYR (0.33) 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-20090221740-A1 NOVEL COMPOSITIONS, METHODS, AND POLYMERS PLEXTRONICS, INC. 2009-09-03 — — US disclosed
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