SCHEMBL11547694

SCHEMBL11547694

O=C(O)c1ccc2c(c1)S(=O)(=O)c1ccccc1-2

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.84
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
GPR3 P46089 1/20 0.57
PTPRC P08575 2/20 0.56
ALDH1A1 P00352 7/20 0.54
TTR P02766 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL1152020 0.92 CHEK1 (1.00) CHEK1KMT2AMEN1L3MBTL1PTPRC
SCHEMBL29789038 0.91 CHEK1 (0.69) CHEK1KMT2AMEN1L3MBTL1PTPRC
SCHEMBL2706112 0.91 CHEK1 (0.69) CHEK1KMT2AMEN1L3MBTL1PTPRC
SCHEMBL11667243 0.90 CHEK1 (0.97) CHEK1KMT2AMEN1L3MBTL1PTPRC
SCHEMBL11558567 0.89 CHEK1 (0.69) CHEK1KMT2AMEN1L3MBTL1GPR3
SCHEMBL31365268 0.87 CHEK1 (0.65) CHEK1KMT2AMEN1L3MBTL1PTPRC
Monoethanolamine SCHEMBL11634327 0.83 CHEK1 (0.82) CHEK1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL14199812 0.81 CHEK1 (0.84) CHEK1KMT2AMEN1L3MBTL1PTPRC
SCHEMBL11632576 0.81 CHEK1 (0.82) CHEK1KMT2AMEN1L3MBTL1PTPRC
SCHEMBL5798092 0.80 CHEK1 (0.78) CHEK1KMT2AMEN1L3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4177257-A ANTIANAPHYLACTIC AGENTS BURROUGHS WELLCOME CO. (US) 1979-12-04 US disclosed
US-4145350-A ANTIALLERGENS, TETRAZOLYL- SUBSTITUTED BURROUGHS WELLCOME CO. (US) 1979-03-20 US disclosed