SCHEMBL14646017

SCHEMBL14646017

COC(=O)Cc1ccsc1-c1cccc(-c2sc(Br)cc2CC(=O)OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
KMT2A Q03164 2/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
ACLY P53396 1/20 0.34
CFD P00746 1/20 0.34
KDM4E B2RXH2 4/20 0.33

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
SCHEMBL14645442 0.91 KMT2A (0.46) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL14645396 0.91 HPGD (0.40) TP53KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14645269 0.89 KMT2A (0.52) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL15695237 0.88 MAPT (0.39) TP53KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14645539 0.87 KMT2A (0.40) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL14646123 0.87 KMT2A (0.45) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL15695238 0.87 MAPT (0.41) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL15695236 0.85 TP53 (0.49) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL14645340 0.83 KMT2A (0.36) TP53KMT2AALOX15MAPK1NPC1
SCHEMBL14646005 0.82 MAPT (0.46) TP53KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817304-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BioChromix NewCo AB (SE) 2014-12-31 EP disclosed
WO-2013036196-A1 NOVEL THIOPHENE COMPOUNDS AND METHOD FOR IN VIVO IMAGING BIOCHROMIX AB (SE) 2013-03-14 WO disclosed
WO-2013009259-A1 NOVEL COMPOUNDS AND THEIR USE IN THERAPY BIOCHROMIX PHARMA AB (SE) 2013-01-17 WO disclosed