SCHEMBL10448561

SCHEMBL10448561

CC(C)(NS(=O)(=O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
DUT P33316 1/20 0.50
LMNA P02545 1/20 0.47
NR3C2 P08235 1/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 4/20 0.44
CA12 O43570 3/20 0.44
PRMT1 Q99873 1/20 0.43
ATM Q13315 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42

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
SCHEMBL6903823 0.88 NR3C2 (0.53) KEAP1KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL9765329 0.83 MEN1 (0.51) KMT2AMEN1CYP2C19ALDH1A1CYP3A4
SCHEMBL21690373 0.83 DUT (0.56) KEAP1CYP2C19ALDH1A1MAPTDUT
SCHEMBL1409455 0.80 DUT (0.56) KEAP1CYP2C19ALDH1A1MAPTDUT
SCHEMBL10448367 0.78 CA2 (0.55) KMT2AMEN1ALDH1A1MAPTDUT
SCHEMBL18726029 0.78 CA12 (0.54) KEAP1KMT2AMEN1CYP2C19ALDH1A1
SCHEMBL27827531 0.77 DUT (0.54) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL15199346 0.75 ALDH1A1 (0.57) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL2408403 0.74 ALDH1A1 (0.59) KMT2AMEN1CYP2C19ALDH1A1CYP1A2
SCHEMBL21360262 0.74 FFAR4 (0.49) KMT2AMEN1CYP2C19ALDH1A1MAPT

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
EP-0375557-A1 Glycine derivative process for preparation thereof, and pharmaceutical composition containing it TANABE SEIYAKU CO., LTD. (JP) 1990-06-27 EP disclosed