SCHEMBL8033876

SCHEMBL8033876

COc1ccccc1N(C)C(=O)COc1cccc(N(CC(=O)N(C)c2ccccc2)C(=O)CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOD2 Q9HC29 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MLYCD O95822 2/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 1/20 0.34
PDE4D Q08499 1/20 0.34
LMNA P02545 2/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8031941 0.89 KMT2A (0.41) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8032079 0.88 KMT2A (0.42) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8034135 0.86 MLYCD (0.40) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8033648 0.86 ALDH1A1 (0.41) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8030640 0.86 MLYCD (0.39) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8030133 0.85 ALDH1A1 (0.45) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8030544 0.85 KMT2A (0.41) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL27488423 0.85 KMT2A (0.35) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8036358 0.83 KMT2A (0.45) KMT2ANPSR1MAPK1NTSR1HTT
SCHEMBL8031917 0.82 POLQ (0.41) KMT2ANPSR1MAPK1NTSR1HTT

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 1 patent. 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