SCHEMBL11218447

SCHEMBL11218447

CC(=O)NC1=C(NC(C)C)C(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.63
HSP90AB1 P08238 8/20 0.63
MAPT P10636 6/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.57
LMNA P02545 2/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 3/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 3/20 0.55
MCL1 Q07820 2/20 0.55
MAPK1 P28482 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
S100A4 P26447 1/20 0.54
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.51

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
SCHEMBL5809304 0.89 HSP90AA1 (0.76) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL11217803 0.82 MAPT (0.74) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL11281163 0.81 MAPT (0.51) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL8931021 0.79 RAB9A (0.73) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL8102411 0.79 HSP90AA1 (0.63) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL18182064 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL8093017 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL8108753 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL17594608 0.79 HSP90AA1 (0.67) HSP90AA1HSP90AB1MAPTALDH1A1MEN1
SCHEMBL7955080 0.78 HSP90AA1 (0.61) HSP90AA1HSP90AB1MAPTALDH1A1MEN1

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-0087054-A1 Selective herbicide for beets containing metamitron in combination with certain naphtoquinone derivatives BAYER AG (DE) 1983-08-31 EP disclosed