SCHEMBL8020586

SCHEMBL8020586

CN(C(=O)COc1ccccc1N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 6/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.54
NTSR1 P30989 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOTUM Q6P988 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.49
MLYCD O95822 2/20 0.48
GLA P06280 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5696786 0.79 MLYCD (0.69) KMT2AMEN1MAPK1NTSR1HTT
SCHEMBL12988086 0.78 ALDH1A1 (0.49) KMT2AMEN1MAPK1SMN1; SMN2NOTUM
SCHEMBL8029965 0.77 KMT2A (0.60) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL9639949 0.77 KMT2A (0.56) KMT2AMEN1HTTSMN1; SMN2ALDH1A1
SCHEMBL2981438 0.77 L3MBTL1 (0.61) HTTSMN1; SMN2ALDH1A1KDM4EGLA
SCHEMBL8030560 0.76 KMT2A (0.47) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL13515801 0.76 NOTUM (0.43) KMT2AMEN1SMN1; SMN2NOTUMALDH1A1
SCHEMBL1019065 0.76 MLYCD (0.65) KMT2AMEN1MAPK1NTSR1HTT
SCHEMBL12218479 0.75 KMT2A (0.64) KMT2AMEN1GAAMAPK1NTSR1
SCHEMBL795799 0.75 KMT2A (0.58) KMT2AMEN1HTTSMN1; SMN2ALDH1A1

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-5919824-A Aminophenol derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-07-06 US disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed