SCHEMBL5269964

SCHEMBL5269964

CC(=O)Nc1ccc(S(=O)(=O)Nc2c[nH]nc2C(=O)NC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
THRB P10828 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL5271610 0.86 MEN1 (0.57) HTTL3MBTL1GAALMNASMN1; SMN2
SCHEMBL5271810 0.86 KCNA5 (0.50) L3MBTL1GAALMNASMN1; SMN2ALDH1A1
SCHEMBL5268738 0.85 METAP2 (0.44) HTTL3MBTL1GAALMNASMN1; SMN2
SCHEMBL5265268 0.84 KCNA5 (0.46) HTTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL5271084 0.84 LMNA (0.53) HTTL3MBTL1GAALMNASMN1; SMN2
SCHEMBL5269927 0.84 LMNA (0.49) HTTL3MBTL1GAALMNASMN1; SMN2
SCHEMBL5272349 0.83 MEN1 (0.47) HTTGAAMAPK1MEN1KMT2A
SCHEMBL5271118 0.83 KMT2A (0.44) HTTL3MBTL1GAALMNASMN1; SMN2
SCHEMBL5266724 0.82 MCL1 (0.40) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5265743 0.81 ALDH1A1 (0.53) HTTL3MBTL1GAALMNAALDH1A1

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-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed