SCHEMBL16705267

SCHEMBL16705267

Bc1cccc(-c2cccc(Br)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALPL P05186 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CCR5 P51681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1755660 0.85
SCHEMBL29539234 0.85 CCR1 (0.46) CCR1CCR8GABRA1GABRG2GABRB3
SCHEMBL229994 0.85 CCR1 (0.46) CCR1CCR8GABRA1GABRG2GABRB3
SCHEMBL31354842 0.83 CCR1 (0.46) CCR1CCR8GABRA1GABRG2GABRB3
SCHEMBL700152 0.83 CCR1 (0.46) CCR1CCR8GABRA1GABRG2GABRB3
SCHEMBL19289237 0.74 PARP1 (0.35) CCR1CCR8GABRA1GABRG2GABRB3
SCHEMBL3419835 0.73 CCR1 (0.73) CCR1CCR8TGFBR1MAPK14RAB9A
SCHEMBL16511928 0.73 CYP3A4 (0.40) CCR1CCR8GABRA1GABRG2GABRB3
SCHEMBL23598723 0.71 MEN1 (0.70) CCR1CCR8KDM4ELMNATP53
SCHEMBL10263463 0.71 KDM4E (0.71) CCR1CCR8KDM4ELMNATP53

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-1629063-B1 ORGANIC ELECTROLUMINESCENT DEVICES AND METAL COMPLEX COMPOUNDS UDC IRELAND LTD (IE) 2015-05-13 EP disclosed