SCHEMBL8868489

SCHEMBL8868489

COc1ccc(Cl)c(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)c3ccc(C(=O)NCC(=O)OC(C)C)nc3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
NLRP3 Q96P20 2/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARA Q07869 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL8868784 0.93 P4HTM (0.51) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8868442 0.93 NLRP3 (0.50) P4HTMALDH1A1LMNAMAPTKMT2A
SCHEMBL9140778 0.93 KMT2A (0.51) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8868488 0.90 LMNA (0.51) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8869223 0.90 P4HTM (0.55) P4HTMALDH1A1LMNAMAPTKMT2A
SCHEMBL8869766 0.89 P4HTM (0.53) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8868484 0.89 ALDH1A1 (0.48) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8868729 0.89 P4HTM (0.52) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL9018425 0.88 KMT2A (0.47) P4HTMALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL8868823 0.88 SMN1; SMN2 (0.50) P4HTMALDH1A1LMNASMN1; SMN2MAPT

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