SCHEMBL8955164

SCHEMBL8955164

COc1ccccc1Nc1cc(NC(C)=O)c(F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 1/20 0.49
ATM Q13315 1/20 0.49
RECQL P46063 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48
PTPN11 Q06124 1/20 0.48
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44

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
SCHEMBL8955420 0.81 MAPT (0.58) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL14225885 0.77 CA1 (0.44) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL171580 0.76 KMT2A (0.70) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL30356246 0.76 KMT2A (0.70) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL6248183 0.73 CA1 (0.43) MAPTKMT2AMEN1HTTALDH1A1
Acetic Acid SCHEMBL28676657 0.73 KMT2A (0.66) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL7600617 0.72 NPSR1 (0.42) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL21925202 0.71 GAA (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL31413338 0.71 GAA (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9120543 0.71 MAPT (0.55) MAPTKMT2AMEN1HTTALDH1A1

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
US-5545742-A 6-heterocyclyl-1-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID CO. (US) 1996-08-13 US disclosed
US-5523277-A PRE- AND POST-EMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5496954-A MULTISTEP SYNTHESIS AMERICAN CYANAMID CO. (US) 1996-03-05 US disclosed