SCHEMBL7945574

SCHEMBL7945574

Nc1ccccc1-c1cc(Cl)c(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
STK39 Q9UEW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.38
NSD2 O96028 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TLR9 Q9NR96 1/20 0.38
THRA P10827 2/20 0.37
THRB P10828 2/20 0.37

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
SCHEMBL5554528 0.78 KMT2A (0.50) MEN1POLBMAPTKMT2ATDP1
SCHEMBL1558220 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP3A4L3MBTL1TSHR
SCHEMBL3790255 0.75 MEN1 (0.56) MEN1MAPTKMT2AALDH1A1HSD17B10
SCHEMBL398444 0.74 ALDH1A1 (0.64) MEN1KMT2AALDH1A1HSD17B10L3MBTL1
SCHEMBL2087211 0.74 ALDH1A1 (0.57) MEN1MAPTKMT2ATDP1ALDH1A1
SCHEMBL10945125 0.74 CYP1A2 (0.56) MEN1POLBMAPTKMT2ATDP1
SCHEMBL3786946 0.73 ALDH1A1 (0.52) MEN1POLBMAPTKMT2ATDP1
SCHEMBL1558917 0.73 ALDH1A1 (0.50) MAPTALDH1A1HSD17B10CYP3A4L3MBTL1
SCHEMBL3794304 0.73 BCHE (0.51) MEN1POLBMAPTKMT2ATDP1
SCHEMBL5745573 0.72 ALDH1A1 (0.45) MEN1POLBMAPTKMT2ATDP1

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-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed