SCHEMBL6543372

SCHEMBL6543372

CC(O)CN(C=O)c1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
ERN1 O75460 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
RXRA P19793 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
LIPE Q05469 1/20 0.37
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5787019 0.80 MAOB (0.43) ERN1L3MBTL1SMN1; SMN2LMNANPC1
SCHEMBL6088536 0.80 MAOB (0.43) ERN1L3MBTL1SMN1; SMN2LMNANPC1
SCHEMBL6091311 0.80 MAOB (0.43) ERN1L3MBTL1SMN1; SMN2LMNANPC1
SCHEMBL3200550 0.79 ALDH1A1 (0.63) BACE1ERN1HDAC8KDM4EL3MBTL1
SCHEMBL28277439 0.77 BACE1 (0.46) BACE1ERN1HDAC8KDM4ETDP1
SCHEMBL17192798 0.77 BACE1 (0.50) BACE1ERN1HDAC8TDP1L3MBTL1
SCHEMBL28276014 0.76 BACE1 (0.45) BACE1ERN1HDAC8KDM4ETDP1
SCHEMBL10791087 0.75 BACE1 (0.48) BACE1ERN1HDAC8TDP1L3MBTL1
SCHEMBL10009490 0.75 BACE1 (0.49) BACE1ERN1HDAC8KDM4EL3MBTL1
SCHEMBL20954376 0.75 BACE1 (0.44) BACE1ERN1HDAC8L3MBTL1ALDH1A1

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-1392659-A4 METHODS OF MAKING INDAZOLES ALCON INC (CH) 2004-10-20 EP disclosed
EP-1392659-A1 METHODS OF MAKING INDAZOLES Alcon, Inc. (CH) 2004-03-03 EP disclosed
WO-2002098862-A1 METHODS OF MAKING INDAZOLES ALCON, INC. (CH) 2002-12-12 WO disclosed