SCHEMBL8916345

SCHEMBL8916345

O=C(O)CNC(=O)c1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 9/20 0.51
MAPT P10636 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 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
SCHEMBL8875576 0.88 MAPT (0.49) EGLN1MAPTCA12CA1CA2
SCHEMBL8916374 0.88 ROCK2 (0.48) MAPTCA1CA2CA9PTGS1
SCHEMBL9235404 0.86 MAPT (0.46) MAPTCA12CA1CA2CA9
SCHEMBL8867801 0.85 MAPT (0.52) MAPTCA12CA1CA2CA9
SCHEMBL8917687 0.85 MAPT (0.45) MAPTCA12CA1CA2CA9
SCHEMBL8917143 0.80 LMNA (0.49) EGLN1MAPTCA12CA1CA2
SCHEMBL9140540 0.80 P4HTM (0.60) MAPTCA12CA1CA2CA9
SCHEMBL9139633 0.80 P4HTM (0.60) MAPTCA12CA1CA2CA9
SCHEMBL8768266 0.80 ROCK2 (0.46) MAPTCA1CA2CA9PTGS1
SCHEMBL8918674 0.79 EGLN1 (0.46) EGLN1SMN1; SMN2HTT

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
US-5610172-A Sulfonamidocarbonylpyridine-2-carboxamides and pyridine-n-oxides which are useful as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed