SCHEMBL9008524

SCHEMBL9008524

COc1ccc(OC)c2c1C(=O)c1ccc(-c3nnn[nH]3)cc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
RAB9A P51151 4/20 0.40
MAPK1 P28482 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
FGB P02675 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
ADORA2A P29274 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40

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
SCHEMBL9008523 0.85 TTR (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11625180 0.83 MAOB (0.35) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL11619908 0.80 PTPRC (0.35) MAPTMEN1KMT2APTPRCPTPN1
SCHEMBL187940 0.78 ALDH1A1 (0.54) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6608296 0.76 GRK6 (0.45) MAPTALDH1A1KDM4ETDP1RAB9A
SCHEMBL8996320 0.75 EGFR (0.45) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL3044550 0.75 HSD17B10 (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10765716 0.75 KDM4E (0.40) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL705661 0.75 MAPT (0.49) MAPTALDH1A1KDM4EMEN1TDP1
SCHEMBL8326642 0.74 LMNA (0.47) ALDH1A1KDM4ETDP1HSD17B10LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484935-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-01-16 US claimed
EP-0638562-A1 Anthraquinone derivatives useful in the treatment of cancer and osteoartritis LILLY INDUSTRIES LIMITED (GB) 1995-02-15 EP claimed
JP-7101944-A None JP disclosed
US-5484935-A Pharmaceutical compounds LILLY INDUSTRIES LIMITED (GB) 1996-01-16 US disclosed
JP-H07101944-A 9,10-DIHYDRO-5,8-DIMETHOXY-9,10-DIOXOANTRACENE-2-YLS AND SALTS OR ESTERS THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME LILLY IND LTD 1995-04-18 JP disclosed
EP-0638562-A1 Anthraquinone derivatives useful in the treatment of cancer and osteoartritis LILLY INDUSTRIES LIMITED (GB) 1995-02-15 EP disclosed