SCHEMBL3405230

SCHEMBL3405230

COC(=O)c1ccccc1-n1cc(O)c2c(Cl)c(Br)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA5A P35218 1/20 0.37
CA9 Q16790 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NR4A2 P43354 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL3406897 0.87 PABPC1 (0.33) LMNATP53KMT2AALDH1A1MAPT
SCHEMBL3406875 0.82 ALDH1A1 (0.41) MYCTSHRLMNATP53KMT2A
SCHEMBL3408784 0.80 LMNA (0.41) TSHRLMNAKMT2AALDH1A1MAPT
SCHEMBL154136 0.75 APP (0.41) POLB
SCHEMBL154137 0.75 APP (0.41) POLB
SCHEMBL28795196 0.75 APP (0.41) POLB
SCHEMBL3405495 0.75 NR4A2 (0.56) MYCTSHRLMNAKMT2AALDH1A1
SCHEMBL3409107 0.74 GAA (0.44) MYCTSHRLMNATP53KMT2A
SCHEMBL15741431 0.70 HSP90AA1 (0.50) MYCTSHRLMNATP53KMT2A
SCHEMBL3282414 0.69 NOTUM (0.41) KMT2AALDH1A1MAPTGAAMEN1

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed