SCHEMBL5267782

SCHEMBL5267782

CNC(=O)c1n[nH]cc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
ALDH1A1 P00352 4/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
MMP2 P08253 1/20 0.53
SLC40A1 Q9NP59 3/20 0.52
TSHR P16473 1/20 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
ATM Q13315 1/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5271807 0.89 KCNA5 (0.54) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL5265907 0.86 MEN1 (0.57) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL5270341 0.84 MEN1 (0.54) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL5274014 0.84 ALDH1A1 (0.54) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL5269930 0.83 KCNA5 (0.47) ALDH1A1MEN1KMT2ATSHRKCNA5
SCHEMBL5270886 0.82 SMN1; SMN2 (0.57) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL5265873 0.81 PKLR (0.52) GAAMEN1KMT2AMMP2TSHR
SCHEMBL5270590 0.81 ALDH1A1 (0.53) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL5318573 0.75 SLC40A1 (0.49) GAAALDH1A1MEN1KMT2ASLC40A1
SCHEMBL5269789 0.74 MEN1 (0.51) GAAALDH1A1POLBMEN1KMT2A

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