SCHEMBL27737486

SCHEMBL27737486

Cc1nn(C)c(F)c1C(=O)Nc1ccccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.48
MAPT P10636 1/20 0.46
HTT P42858 2/20 0.42
SLC11A2 P49281 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD11B1 P28845 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
MEN1 O00255 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL27707930 0.89 LMNA (0.47) NR3C1HTTSLC11A2KMT2ASMN1; SMN2
SCHEMBL27728450 0.88 NR3C1 (0.53) NR3C1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL4456702 0.84 TACR1 (0.47) NR3C1KMT2ATP53ALDH1A1SCN9A
SCHEMBL11930691 0.83 ALDH1A1 (0.57) MAPTHTTKMT2ATSHRALDH1A1
SCHEMBL12918471 0.83 NR3C1 (0.47) NR3C1MAPTHTTSLC11A2KMT2A
SCHEMBL28347002 0.83 NR3C1 (0.40) NR3C1MAPTHTTKMT2ASMN1; SMN2
SCHEMBL29445384 0.83 CHRM3 (0.46) MAPTHTTKMT2ASMN1; SMN2NPC1
SCHEMBL1134827 0.83 CHRM3 (0.46) MAPTHTTKMT2ASMN1; SMN2NPC1
SCHEMBL4171408 0.82 ALDH1A1 (0.54) MAPTKMT2ATP53ALDH1A1MEN1
SCHEMBL13455819 0.81 ALDH1A1 (0.49) MAPTHTTKMT2ASMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101262764-A Fungicide mixtures based on 1-methyl-pyrazol-4-yl carboxylic acid anilides BASF SE (DE) 2008-09-10 CN claimed
CN-101247723-A Fungicide mixtures based on 3-monosubstituted pyrazole carboxylic acid biphenyl amides BASF SE (DE) 2008-08-20 CN claimed
CN-101262764-A Fungicide mixtures based on 1-methyl-pyrazol-4-yl carboxylic acid anilides BASF SE (DE) 2008-09-10 CN disclosed
CN-101247723-A Fungicide mixtures based on 3-monosubstituted pyrazole carboxylic acid biphenyl amides BASF SE (DE) 2008-08-20 CN disclosed