SCHEMBL14224050

SCHEMBL14224050

C=c1[nH]c2c(C)ccc(SCc3ccccc3)c2/c1=C/C(C)=C\N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MET P08581 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
SCHEMBL13156632 0.68
SCHEMBL645956 0.65 HSD17B10 (0.41) POLBMEN1MAPTPKMKMT2A
SCHEMBL31282348 0.63 POLB (0.55) POLBMEN1MAPTPKMKMT2A
SCHEMBL646657 0.63 PDK2 (0.39) POLBMEN1MAPTPKMKMT2A
SCHEMBL6916799 0.58 POLB (0.61) POLBMEN1MAPTPKMKMT2A
SCHEMBL29700326 0.58 POLB (0.61) POLBMEN1MAPTPKMKMT2A
SCHEMBL10679407 0.57 POLB (0.64) POLBMEN1KMT2AALDH1A1
SCHEMBL23092362 0.57 POLB (0.55) POLBALDH1A1
SCHEMBL29715299 0.57 POLB (0.55) POLBALDH1A1
SCHEMBL30681716 0.57 POLB (0.46) POLBMEN1MAPTPKMKMT2A

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
WO-2008045834-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2008-04-17 WO disclosed