SCHEMBL14458564

SCHEMBL14458564

Cc1c(-c2csc(Nc3cccc(C(=O)Cl)c3)n2)cnn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
AMY1A P0DUB6 1/20 0.52
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALOX5 P09917 1/20 0.48
CSNK2A1 P68400 1/20 0.48
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL12298161 0.92 PIM1 (0.62) PIM1MEN1KMT2ANPC1RAB9A
SCHEMBL12298170 0.86 MAPT (0.54) PIM1MEN1KMT2ANPC1RAB9A
SCHEMBL4239559 0.85 PLAU (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4057215 0.83 CYP1A2 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4243912 0.83 MEN1 (0.52) PIM1MEN1KMT2ANPC1RAB9A
SCHEMBL4239248 0.82 CFTR (0.56) PIM1MEN1KMT2ARAB9AMAPT
SCHEMBL12298158 0.81 VCP (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12297751 0.81 CFTR (0.46) PIM1MEN1KMT2ANPC1RAB9A
SCHEMBL4065329 0.81 PKM (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4242424 0.80 ALOX5 (0.54) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed