SCHEMBL5268522

SCHEMBL5268522

O=C(NC1CCCC1)c1n[nH]cc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 7/20 0.46
TDP1 Q9NUW8 5/20 0.46
TP53 P04637 4/20 0.46
POLB P06746 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNA5 P22460 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.43
FAAH O00519 1/20 0.43
EPHX1 P07099 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
GLO1 Q04760 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
SCHEMBL5270560 0.87 LMNA (0.54) LMNAMAPTTDP1TP53POLB
SCHEMBL5269318 0.85 LMNA (0.53) LMNAMAPTTDP1TP53POLB
SCHEMBL5269706 0.83 LMNA (0.55) LMNAMAPTTP53POLBMEN1
SCHEMBL5272339 0.83 LMNA (0.54) LMNAMAPTTDP1POLBMEN1
SCHEMBL5270115 0.83 LMNA (0.54) LMNAMAPTPOLBKCNA5SMN1; SMN2
SCHEMBL5266716 0.83 LMNA (0.69) LMNAMAPTTDP1TP53POLB
SCHEMBL5271687 0.83 KCNA5 (0.56) LMNAMAPTTDP1TP53POLB
SCHEMBL5268976 0.83 MEN1 (0.49) LMNAMAPTTDP1POLBL3MBTL1
SCHEMBL5269789 0.83 MEN1 (0.51) LMNAMAPTTDP1POLBL3MBTL1
SCHEMBL5268784 0.82 NPC1 (0.47) LMNAMEN1KMT2AKCNA5SMN1; SMN2

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