SCHEMBL11275576

SCHEMBL11275576

COc1cc2ccc(CC(=O)Nc3ccccc3)cc2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
NR1H4 Q96RI1 1/20 0.61
BCHE P06276 4/20 0.61
ACHE P22303 4/20 0.61
EPHX2 P34913 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
RAB9A P51151 1/20 0.58
USP2 O75604 1/20 0.58
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL3653095 0.87 EPHX2 (0.77) KMT2AMEN1BCHEACHEEPHX2
SCHEMBL9367263 0.84 NR1H4 (0.83) KMT2AMEN1NR1H4EPHX2L3MBTL1
SCHEMBL14344626 0.82 MEN1 (0.76) KMT2AMEN1NR1H4L3MBTL1SMN1; SMN2
SCHEMBL11271316 0.81 KMT2A (0.55) KMT2AMEN1EPHX2SMN1; SMN2LMNA
SCHEMBL11285414 0.80 NLRP3 (0.74) KMT2AMEN1NR1H4BCHEACHE
SCHEMBL9370863 0.80 ALDH1A1 (0.88) KMT2AMEN1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL4589826 0.79 PTGS1 (0.73) KMT2AMEN1NR1H4L3MBTL1SMN1; SMN2
SCHEMBL11277313 0.79 L3MBTL1 (0.52) KMT2AMEN1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL5103284 0.79 USP2 (0.84) KMT2AMEN1EPHX2L3MBTL1SMN1; SMN2
SCHEMBL28869814 0.78 NR1H4 (0.73) KMT2AMEN1NR1H4L3MBTL1SMN1; SMN2

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
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed