SCHEMBL10974170

SCHEMBL10974170

COc1cccc2c1C(=O)c1c(OC)ccc(OC)c1C2=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.74
PIM1 P11309 1/20 0.74
MAPT P10636 6/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
ALDH1A1 P00352 4/20 0.74
KDM4E B2RXH2 2/20 0.74
USP2 O75604 1/20 0.74
DUSP3 P51452 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
ELANE P08246 6/20 0.61
MAPK1 P28482 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
FGB P02675 1/20 0.61
POLB P06746 1/20 0.61
THRB P10828 1/20 0.61
ADORA2A P29274 1/20 0.61
PPARG P37231 1/20 0.61

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
SCHEMBL3417492 0.94 EGFR (0.76) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL8947495 0.92 EGFR (0.73) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL7792566 0.90 EGFR (0.71) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL28115502 0.90 EGFR (0.62) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL498666 0.90 MEN1 (0.79) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL612831 0.88 MAPT (0.74) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL5816933 0.88 EGFR (0.64) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL11526060 0.87 EGFR (0.63) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL11528272 0.85 EGFR (1.00) EGFRPIM1MAPTMEN1KMT2A
SCHEMBL28575370 0.85 MEN1 (0.72) EGFRPIM1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60190732-A None JP disclosed
JP-S60190732-A 8-ALLYL-6,8,11-TRIHYDROXY-7,8,9,10-TETRAHYDRO-5,12- NAPHTHACENEDIONE DERIVATIVE SAGAMI CHEM RES CENTER 1985-09-28 JP disclosed
US-4147706-A Intermediates for polycyclic quinonoid antibiotics RESEARCH CORPORATION (US) 1979-04-03 US disclosed
US-4070382-A DAUNOMYCINS, ANTITUMOR AGENTS RESEARCH CORPORATION (US) 1978-01-24 US disclosed