SCHEMBL8875122

SCHEMBL8875122

CCOC(=O)CNC(=O)c1ncc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)c3cc(OC)ccc3Cl)cc2)cc1O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
NLRP3 Q96P20 2/20 0.41
MEN1 O00255 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 1/20 0.41
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL8875496 0.93 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8917143 0.91 LMNA (0.49) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8089693 0.90 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8875722 0.89 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8096976 0.85 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8915470 0.84 LMNA (0.49) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8868484 0.83 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8868784 0.83 P4HTM (0.51) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL8875576 0.83 MAPT (0.49) LMNAMAPTKMT2AMEN1CA12
SCHEMBL9136744 0.82 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2MAPTKMT2A

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-5620996-A Sulfonamidocarbonyl pyridine-2-carboxesteramides and their pyridine-N-oxide compounds and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed