SCHEMBL5268976

SCHEMBL5268976

CC(C)NC(=O)c1n[nH]cc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
POLB P06746 2/20 0.45
GLO1 Q04760 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GALK1 P51570 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLAU P00749 2/20 0.44
PGAM1 P18669 1/20 0.44
HSD11B1 P28845 1/20 0.44
ATM Q13315 1/20 0.43
KAT6A Q92794 1/20 0.43
TSHR P16473 1/20 0.43
AGTR1 P30556 1/20 0.43

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
SCHEMBL5269789 0.89 MEN1 (0.51) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5265268 0.86 KCNA5 (0.46) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5266801 0.84 GPR27 (0.54) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5272349 0.84 MEN1 (0.47) MEN1KMT2AGAAMAPTPGAM1
SCHEMBL5268522 0.83 LMNA (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5269927 0.83 LMNA (0.49) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5271810 0.82 KCNA5 (0.50) ALDH1A1LMNAGAASMN1; SMN2TDP1
SCHEMBL5268920 0.82 KCNA5 (0.47) MEN1KMT2AALDH1A1LMNATDP1
SCHEMBL5268738 0.81 METAP2 (0.44) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5273212 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAGAA

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