SCHEMBL5265907

SCHEMBL5265907

O=C(Nc1ccccc1)c1n[nH]cc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
GAA P10253 2/20 0.55
MMP2 P08253 1/20 0.53
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
SLC40A1 Q9NP59 4/20 0.51
KCNA5 P22460 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
SLC16A3 O15427 1/20 0.48
FABP1 P07148 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL5267782 0.86 GAA (0.55) MEN1KMT2AGAAMMP2ALDH1A1
SCHEMBL5270341 0.85 MEN1 (0.54) MEN1KMT2AGAAMMP2ALDH1A1
SCHEMBL5273547 0.85 TSHR (0.49) MEN1KMT2AALDH1A1KCNA5SLC16A3
SCHEMBL5271807 0.84 KCNA5 (0.54) MEN1KMT2AGAAMMP2ALDH1A1
SCHEMBL5270886 0.84 SMN1; SMN2 (0.57) MEN1KMT2AGAAMMP2ALDH1A1
SCHEMBL5274014 0.81 ALDH1A1 (0.54) MEN1KMT2AGAAMMP2ALDH1A1
SCHEMBL5270764 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1HPGDTDP1
SCHEMBL5265873 0.79 PKLR (0.52) MEN1KMT2AGAAMMP2HPGD
SCHEMBL5270590 0.78 ALDH1A1 (0.53) MEN1KMT2AGAAMMP2ALDH1A1
SCHEMBL5266801 0.77 GPR27 (0.54) MEN1KMT2AGAAALDH1A1TDP1

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