SCHEMBL13067655

SCHEMBL13067655

CN(CCS)CCCNc1ccc(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
BRCA1 P38398 1/20 0.48
HIF1A Q16665 1/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
POLB P06746 5/20 0.46
MAPT P10636 4/20 0.46
BLM P54132 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
RAD52 P43351 1/20 0.46
RECQL P46063 1/20 0.46
TOP2B Q02880 3/20 0.45
ADORA2A P29274 3/20 0.44
CSNK1A1 P48729 2/20 0.44

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
SCHEMBL13068244 0.99 SMN1; SMN2 (0.47) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL2482880 0.89 SMN1; SMN2 (0.59) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL13067943 0.88 SMN1; SMN2 (0.43) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL13067661 0.85 SMN1; SMN2 (0.44) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL14700361 0.82 SMN1; SMN2 (0.41) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL30818304 0.81 SMN1; SMN2 (0.67) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL18984755 0.81 SMN1; SMN2 (0.67) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL11645881 0.80 ADORA2A (0.54) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL11423638 0.79 ADORA2A (0.53) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL10814026 0.78 SMN1; SMN2 (0.52) SMN1; SMN2BRCA1HIF1AMEN1KMT2A

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-1937780-B1 MIXTURE OF SULFIDE DYES BASF SE (DE) 2013-02-13 EP disclosed
EP-1893694-B1 SULFIDE DYES BASF SE (DE) 2010-11-17 EP disclosed