SCHEMBL9501707

SCHEMBL9501707

CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
PSIP1 O75475 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
BCAT1 P54687 7/20 0.33
BCAT2 O15382 6/20 0.33
AR P10275 1/20 0.33
PPOX P50336 1/20 0.32
BRAF P15056 1/20 0.32
TSHR P16473 2/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PGR P06401 1/20 0.30

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
SCHEMBL9123594 0.86 BCAT1 (0.48) BCAT1BCAT2ALDH1A1
SCHEMBL8689420 0.84 BCAT1 (0.42) SMN1; SMN2PSIP1BCAT1BCAT2AR
SCHEMBL7833797 0.75 PSIP1 (0.33) PSIP1PPOXBRAFMAPTBRD4
SCHEMBL8463248 0.74 PSIP1 (0.33) PSIP1PPOX
SCHEMBL10521335 0.74 PSIP1 (0.36) PSIP1EGLN1ARPPOXBRAF
SCHEMBL9706539 0.72 SMN1; SMN2 (0.45) SMN1; SMN2BCAT1BCAT2TSHRMAPT
SCHEMBL9423268 0.72 SMN1; SMN2 (0.45) SMN1; SMN2BCAT1BCAT2TSHRMAPT
SCHEMBL9081076 0.72 PPOX (0.42) EGLN1PPOXMAPTBRD4
SCHEMBL10574007 0.71 SMN1; SMN2 (0.44) SMN1; SMN2BCAT1BCAT2
SCHEMBL10573220 0.71 PPOX (0.47) SMN1; SMN2BCAT1BCAT2PPOXMAPT

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
JP-5001043-A None JP disclosed
JP-H051043-A URACIL DERIVATIVE AND HERBICIDE NISSAN CHEM IND LTD 1993-01-08 JP disclosed