SCHEMBL14700361

SCHEMBL14700361

CCC(C)SCCN(C)CCCNc1ccc(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
BRCA1 P38398 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
POLB P06746 5/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
BLM P54132 3/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
RAD52 P43351 1/20 0.40
RECQL P46063 1/20 0.40
TOP2B Q02880 2/20 0.40
ADORA2A P29274 3/20 0.38
CSNK1A1 P48729 2/20 0.38

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
SCHEMBL13067655 0.82 SMN1; SMN2 (0.48) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL13068244 0.81 SMN1; SMN2 (0.47) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL2482880 0.80 SMN1; SMN2 (0.59) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL11645881 0.77 ADORA2A (0.54) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL13067943 0.76 SMN1; SMN2 (0.43) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL11423638 0.75 ADORA2A (0.53) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL8647027 0.74 ADORA2A (0.51) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL20333888 0.74 TERT (0.56) SMN1; SMN2BRCA1HIF1AMEN1KMT2A
SCHEMBL28287515 0.74 ADORA2A (0.58) SMN1; SMN2MEN1KMT2APOLBMAPT
SCHEMBL18090967 0.74 SMN1; SMN2 (0.51) 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 1 patent. 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