SCHEMBL5713588

SCHEMBL5713588

Nc1cc(Cc2ccco2)c(N)c2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
POLB P06746 6/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 3/20 0.38
PKM P14618 2/20 0.38
ESR2 Q92731 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
PTPN7 P35236 1/20 0.38
BLM P54132 1/20 0.38
TP53 P04637 6/20 0.37
USP2 O75604 2/20 0.36
TSHR P16473 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HPGD P15428 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL3876773 0.77 L3MBTL1 (0.40) MAPTPOLBALDH1A1HSD17B10L3MBTL1
SCHEMBL3886270 0.72 RAB9A (0.45) MAPTPOLBALDH1A1TDP1THRB
SCHEMBL3884667 0.70 RAB9A (0.45) MAPTPOLBALDH1A1TDP1THRB
SCHEMBL3879057 0.69 MAPT (0.40) MAPTPOLBALDH1A1HSD17B10ESR2
SCHEMBL3882583 0.69 ALDH1A1 (0.44) MAPTPOLBALDH1A1HSD17B10PKM
SCHEMBL3876292 0.67 ALDH1A1 (0.38) MAPTPOLBALDH1A1HSD17B10L3MBTL1
SCHEMBL3885247 0.67 IDO1 (0.39) MAPTPOLBALDH1A1HSD17B10L3MBTL1
SCHEMBL6912345 0.66 GAA (0.41) MAPTALDH1A1TSHRHPGDLMNA
SCHEMBL3884425 0.66 L3MBTL1 (0.40) MAPTPOLBALDH1A1HSD17B10L3MBTL1
SCHEMBL3875812 0.66 MAPK3 (0.45) MAPTALDH1A1TDP1HSD17B10L3MBTL1

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-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed