SCHEMBL8868889

SCHEMBL8868889

COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(C(=O)NCC(=O)O)nc3)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 1/20 0.54
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 2/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL8868966 0.95 TSHR (0.58) CA1CA2CA7CA9CA14
SCHEMBL8869327 0.92 CA1 (0.57) CA1CA2CA7CA9CA14
SCHEMBL8868339 0.92 CA1 (0.61) CA1CA2CA7CA9CA14
SCHEMBL8868879 0.91 CA1 (0.60) CA1CA2CA7CA9CA14
SCHEMBL9141263 0.91 CA1 (0.62) CA1CA2CA7CA9CA14
SCHEMBL8869545 0.90 CA1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL9137194 0.90 CA1 (0.62) CA1CA2CA7CA9CA14
SCHEMBL8869501 0.90 CA1 (0.54) CA1CA2CA7CA9CA14
SCHEMBL8869662 0.89 ALDH1A1 (0.55) CA1CA2CA7CA9CA14
SCHEMBL8869492 0.89 CA1 (0.53) 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 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