SCHEMBL13600889

SCHEMBL13600889

CCOC(=O)C(CSCc1ccccc1)NC(=O)/C=C/C=C(\Cl)c1cc2cc(Br)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
METAP2 P50579 1/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
PIM1 P11309 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
BCAT1 P54687 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
SLC10A1 Q14973 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PPARA Q07869 1/20 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
SCHEMBL4499171 0.90 ACE (0.39) PIM1BCAT1TDP1PPARA
SCHEMBL4499168 0.90 ACE (0.39) PIM1BCAT1TDP1PPARA
SCHEMBL4499170 0.90 ACE (0.39) PIM1BCAT1TDP1PPARA
SCHEMBL13600880 0.80 ELANE (0.39) ELANEMETAP2MAPTMEN1KMT2A
SCHEMBL13600967 0.76 PIM1 (0.47) MAPTALDH1A1PIM1LMNA
SCHEMBL4496038 0.71 PIM1 (0.58) MAPTALDH1A1PIM1KMT2ABCAT1
SCHEMBL4496048 0.71 PIM1 (0.58) MAPTALDH1A1PIM1KMT2ABCAT1
SCHEMBL10618508 0.71 PPARA (0.51) ELANEMETAP2MAPTMEN1KMT2A
SCHEMBL4495288 0.70 SLC10A1 (0.37) MEN1KMT2ATDP1SLC10A1PPARA
SCHEMBL13600865 0.68 MAPT (0.45) MAPTALDH1A1MEN1KMT2ALMNA

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-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed
US-7638540-B2 Benzofuran compound and medicinal composition containing the same THE NEW INDUSTRY RESEARCH ORGANIZATION (JP) 2009-12-29 US disclosed