SCHEMBL8869124

SCHEMBL8869124

CCCOC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
CA9 Q16790 2/20 0.42
CXCR1 P25024 1/20 0.42
CXCR2 P25025 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NFKB1 P19838 2/20 0.42
NPC1 O15118 2/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL8868674 1.00 MAPT (0.48) MAPTKMT2AMEN1CA2CA1
SCHEMBL8868264 0.93 MAPT (0.52) MAPTKMT2AMEN1CA2CA1
SCHEMBL8868748 0.93 NPC1 (0.49) MAPTKMT2AMEN1CA2CA1
SCHEMBL8869486 0.93 PPARA (0.49) MAPTKMT2AMEN1CA2CA1
SCHEMBL8869230 0.93 PPARA (0.49) MAPTKMT2AMEN1CA2CA1
SCHEMBL8868835 0.92 NPC1 (0.52) MAPTKMT2AMEN1CA2CA1
SCHEMBL8869220 0.91 P4HTM (0.54) MAPTKMT2AMEN1CA2CA1
SCHEMBL8868673 0.91 POLB (0.49) MAPTKMT2AMEN1CA2CA1
SCHEMBL8868460 0.91 MAPT (0.52) MAPTKMT2AMEN1CA2CA1
SCHEMBL8868685 0.91 MAPT (0.52) MAPTKMT2AMEN1CA2CA1

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-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed