SCHEMBL11312911

SCHEMBL11312911

CCC(=O)Nc1cccc(NC2=CC(=O)CC(C)(C)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
TSHR P16473 4/20 0.63
MEN1 O00255 4/20 0.63
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 2/20 0.51
NR4A1 P22736 1/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BUB1 O43683 1/20 0.49
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL486421 0.77 KMT2A (0.67) KMT2ATSHRMEN1GAAKDM4E
SCHEMBL11319353 0.76 BUB1 (0.52) KMT2AMEN1GAAPOLBNR4A1
SCHEMBL486053 0.75 ALDH1A1 (0.71) KMT2ATSHRMEN1KDM4EPOLB
SCHEMBL10970617 0.75 RAB9A (0.85) KMT2AMEN1GAAPOLBNR4A1
SCHEMBL15992233 0.73 KMT2A (0.63) KMT2ATSHRMEN1GAAKDM4E
SCHEMBL10853175 0.72 KMT2A (0.55) KMT2AMEN1GAAPOLBNR4A1
SCHEMBL12325924 0.70 GAA (1.00) KMT2ATSHRMEN1GAAKDM4E
SCHEMBL13856564 0.69 POLB (1.00) KMT2ATSHRMEN1GAAPOLB
SCHEMBL11871574 0.69 RAB9A (0.74) KMT2AMEN1GAAPOLBNR4A1
SCHEMBL11524019 0.69 RAB9A (0.74) KMT2AMEN1GAAPOLBNR4A1

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
US-4265658-A Novel cyclohexenone amino phenyl amides and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1981-05-05 US disclosed