SCHEMBL15055227

SCHEMBL15055227

CCOC(=O)c1ccc(N=CCc2ccccc2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
RAB9A P51151 6/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
PKM P14618 1/20 0.45
NPC1 O15118 4/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ESR1 P03372 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
ESR2 Q92731 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL2544690 0.80 GAA (0.55) GAARAB9AMAPTKMT2ANPC1
SCHEMBL2544692 0.80 GAA (0.55) GAARAB9AMAPTKMT2ANPC1
SCHEMBL27622633 0.74 MAPT (0.52) GAARAB9AMAPTKMT2ANPC1
SCHEMBL2532833 0.73 CA1 (0.71) GAARAB9AMAPTKMT2ANPC1
SCHEMBL2532836 0.73 CA1 (0.71) GAARAB9AMAPTKMT2ANPC1
SCHEMBL11253873 0.73 MAPT (0.57) GAARAB9AMAPTKMT2APOLB
SCHEMBL6258679 0.73 SMN1; SMN2 (0.51) GAARAB9AMAPTKMT2APOLB
SCHEMBL3269740 0.72 GAA (0.50) GAARAB9AMAPTKMT2ANPC1
SCHEMBL27905231 0.72 MEN1 (0.55) GAARAB9AMAPTKMT2ANPC1
SCHEMBL15073446 0.72 NOS3 (0.50) GAARAB9AMAPTKMT2ANPC1

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-2013095304-A1 PROCESSES FOR PREPARING INDOLES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-06-27 WO disclosed