SCHEMBL7862780

SCHEMBL7862780

COCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.54
TSHR P16473 1/20 0.52
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 3/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
NAMPT P43490 1/20 0.46
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL7869461 0.96 TSHR (0.57) CA1CA2CA7CA9CA14
SCHEMBL7874656 0.94 CA1 (0.53) CA1CA2CA7CA9CA14
SCHEMBL7871641 0.93 CA1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL7870511 0.93 ALDH1A1 (0.56) CA1CA2CA7CA9CA14
SCHEMBL7862678 0.92 ALDH1A1 (0.51) CA1CA2CA7CA9CA14
SCHEMBL9018086 0.90 CA1 (0.60) CA1CA2CA7CA9CA14
SCHEMBL7871575 0.90 KMT2A (0.56) CA1CA2CA7CA9CA14
SCHEMBL7862680 0.90 TSHR (0.54) CA1CA2CA7CA9CA14
SCHEMBL7874585 0.90 TSHR (0.54) CA1CA2CA7CA9CA14
SCHEMBL7867669 0.89 TSHR (0.57) CA1CA2CA7CA9CA14

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