SCHEMBL8030133

SCHEMBL8030133

COc1ccccc1N(C)C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
NTSR1 P30989 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MLYCD O95822 2/20 0.41
PDE4D Q08499 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL8031968 0.88 KMT2A (0.43) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8020728 0.87 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8034098 0.86 KMT2A (0.46) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8032129 0.85 KMT2A (0.44) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8033876 0.85 KMT2A (0.40) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8030265 0.84 KMT2A (0.43) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8033749 0.84 MLYCD (0.43) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8828076 0.83 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL8031976 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1NTSR1HTT
SCHEMBL8030044 0.83 MLYCD (0.43) ALDH1A1KMT2AMAPK1NTSR1HTT

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