SCHEMBL7689100

SCHEMBL7689100

CCCCCN(CCCCC)c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.48
CRHR1 P34998 3/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7695223 0.79 S100B (0.43) ARCRHR1SLC16A3SLC16A1KDM4E
SCHEMBL10340842 0.78 KDM4E (0.37) ARSLC16A3SLC16A1CNR2KDM4E
SCHEMBL7691186 0.78 ABL1 (0.42) ARNR1H2NR1H3SLC16A3SLC16A1
SCHEMBL4901626 0.76 AR (0.53) AR
SCHEMBL3050949 0.75 AR (0.48) AR
SCHEMBL1536726 0.74 AR (0.45) ARCRHR1ALDH1A1GAA
SCHEMBL8001280 0.73 NR1H2 (0.48) ARNR1H2NR1H3
SCHEMBL3983038 0.73 NR1H2 (0.48) ARNR1H2NR1H3
SCHEMBL21519640 0.73 NR1H2 (0.48) ARNR1H2NR1H3
SCHEMBL22748246 0.73 FAAH (0.45) THRATHRBKDM4EALDH1A1

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
US-6335446-B1 Quinolinium- and pyridinium-based fluorescent dye compounds OXFORD GLYCOSCIENCES (UK) LTD. (GB) 2002-01-01 US disclosed