SCHEMBL28129582

SCHEMBL28129582

CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
ADRA1A P35348 1/20 0.38
KIF11 P52732 2/20 0.37
NR1H2 P55055 3/20 0.36
PTGS2 P35354 1/20 0.36
ABCB11 O95342 1/20 0.36
NR1H3 Q13133 2/20 0.35
POLB P06746 1/20 0.35
CNR2 P34972 1/20 0.35
PDE2A O00408 1/20 0.35
NR1I2 O75469 1/20 0.35
CACNA1B Q00975 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL28137594 0.85 NR1H2 (0.47) ALOX5APFEN1KIF11NR1H2NR1H3
SCHEMBL28230701 0.80 ALOX5AP (0.46) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL16021159 0.77 MCL1 (0.47) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL12335461 0.77 ALOX5AP (0.50) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL23841300 0.77 CES2 (0.47) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL3033286 0.76 PDE2A (0.39) MEN1ALDH1A1KMT2AKIF11PDE2A
SCHEMBL20093090 0.75 ALOX5AP (0.49) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL15009785 0.75 ALOX5AP (0.43) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL30700705 0.75 ALOX5AP (0.43) ALOX5APFEN1MEN1ALDH1A1KMT2A
SCHEMBL16019325 0.75 ALOX5AP (0.43) ALOX5APFEN1MEN1ALDH1A1KMT2A

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
CN-103980202-B 4-benzoyl pyrazole compound with herbicidal activity 青岛清原化合物有限公司 2017-01-18 CN disclosed