SCHEMBL7082295

SCHEMBL7082295

[B]c1ccccc1NC(=O)c1c(C)nn(C)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR3C1 P04150 2/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL14781423 0.86 HTT (0.60) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL3030217 0.85 HTT (0.44) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL3029473 0.84 ATM (0.57) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL3020620 0.83 HTT (0.43) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL1308720 0.83 HTT (0.44) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL13843918 0.82 MAPT (0.46) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL12918471 0.82 NR3C1 (0.47) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL14266422 0.82 HTT (0.42) HTTKDM4CALDH1A1HPGDLMNA
SCHEMBL11930691 0.82 ALDH1A1 (0.57) HTTALDH1A1HPGDLMNAATM
SCHEMBL13843926 0.81 HTT (0.41) HTTKDM4CALDH1A1HPGDLMNA

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-1313709-A1 PYRAZOLYL BIPHENYL CARBOXAMIDES Bayer CropScience AG (DE) 2003-05-28 EP disclosed
WO-2002008195-A1 PYRAZOLYL BIPHENYL CARBOXAMIDES AND THE USE THEREOF FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2002-01-31 WO disclosed