SCHEMBL11056087

SCHEMBL11056087

CCCCCc1ccc(N)c(CCCCC)c1NC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SKP2 Q13309 1/20 0.34
TLR8 Q9NR97 3/20 0.33
SRC P12931 1/20 0.32
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL11059908 0.78 TYR (0.39) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL11058933 0.77 TYR (0.38) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL11058920 0.76 TYR (0.40) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL2400391 0.76 TYR (0.44) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL5424900 0.74 TYR (0.47) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL1187291 0.74 TYR (0.47) TYRCYP3A4MAPTMEN1KMT2A
Bromide SCHEMBL5087885 0.74 TYR (0.43) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL1704787 0.74 TYR (0.47) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL2400771 0.74 TYR (0.47) TYRCYP3A4MAPTMEN1KMT2A
SCHEMBL1705721 0.74 TYR (0.47) TYRCYP3A4MAPTMEN1KMT2A

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-4488992-A Monoazo dyestuffs derived from benzothiazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-18 US disclosed
EP-0013809-A1 Monoazo dyes of the benzothiazole series, their preparation and use in dyeing or printing hydrophobic fibres SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-08-06 EP disclosed