SCHEMBL10945752

SCHEMBL10945752

CC(=O)Nc1c(N)cccc1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
ADRA2C P18825 1/20 0.46
CTNNB1 P35222 1/20 0.45
TSPO P30536 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
IKBKB O14920 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL6062389 0.83 GAA (0.54) ADRA2CTSPOLMNAMAPTALDH1A1
SCHEMBL7719997 0.83 L3MBTL1 (0.54) BRD4ADRA2CTSPOLMNAMAPT
SCHEMBL27496561 0.82 POLB (0.49) CTNNB1TSPOLMNAMAPTALDH1A1
SCHEMBL3450491 0.81 ALDH1A1 (0.47) LMNAMAPTALDH1A1POLBRAB9A
Acetic Acid SCHEMBL7835964 0.79 GAA (0.56) BRD4ADRA2CCTNNB1TSPOLMNA
SCHEMBL3175163 0.78 BRD4 (0.63) BRD4LMNAMAPTGAAL3MBTL1
SCHEMBL11086850 0.78 CAMK2A (0.52) ADRA2CTSPOLMNAMAPTALDH1A1
SCHEMBL3728925 0.78 ALDH1A1 (0.56) MAPTIKBKBALDH1A1GAARAB9A
SCHEMBL6063201 0.76 LMNA (0.45) ADRA2CTSPOLMNAMAPTALDH1A1
SCHEMBL9474878 0.76 HDAC1 (0.45) ALDH1A1GAAL3MBTL1KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105660-B1 PREPARATION OF BIS-(AMINOPHENYL) ETHERS FROM (N-ACETYL) AMINOPHENOLS OR THEIR PHENOLATES MALLINCKRODT, INC.(a Missouri corporation) (US) 1985-11-27 EP disclosed
US-4551551-A Preparation of bis(aminophenyl) ethers from (N-acetyl)aminophenols or their phenolates MALLINCKRODT, INC. (US) 1985-11-05 US disclosed
EP-0105660-A1 Preparation of bis-(aminophenyl) ethers from (N-acetyl) aminophenols or their phenolates MALLINCKRODT, INC.(a Missouri corporation) (US) 1984-04-18 EP disclosed