SCHEMBL7870524

SCHEMBL7870524

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.43
ENPP3 O14638 5/20 0.42
ENPP1 P22413 4/20 0.42
ENPP2 Q13822 3/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
EGFR P00533 1/20 0.39
HTT P42858 1/20 0.39
STS P08842 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL7869495 0.92 LMNA (0.45) SMN1; SMN2TSHRMAPK1LMNAALDH1A1
SCHEMBL7870549 0.89 MAPT (0.47) SMN1; SMN2TSHRMAPK1LMNAALDH1A1
SCHEMBL8869050 0.87 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMAPK1LMNAALDH1A1
SCHEMBL7867896 0.86 LMNA (0.49) SMN1; SMN2TSHRLMNAALDH1A1KMT2A
SCHEMBL9018265 0.85 LMNA (0.50) SMN1; SMN2TSHRMAPK1LMNAALDH1A1
SCHEMBL7874570 0.85 EGFR (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7869457 0.83 P4HTM (0.47) SMN1; SMN2MAPK1LMNAKMT2AMEN1
SCHEMBL7874562 0.83 EGFR (0.43) SMN1; SMN2ALDH1A1KMT2AMEN1CXCR1
SCHEMBL7867890 0.82 POLB (0.40) SMN1; SMN2TSHRLMNAALDH1A1KMT2A
SCHEMBL7869400 0.81 CA12 (0.42) SMN1; SMN2ALDH1A1KMT2AMEN1L3MBTL1

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
EP-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed