SCHEMBL8868040

SCHEMBL8868040

CC(C)OC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 8/20 0.47
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCL1 Q07820 1/20 0.38
POLB P06746 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SLC8A1 P32418 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL8869725 0.91 P4HTM (0.39) P4HTMRAB9AALDH1A1POLBEGLN1
SCHEMBL9143059 0.88 P4HTM (0.53) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8869554 0.88 P4HTM (0.51) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8869402 0.87 P4HTM (0.64) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8867850 0.87 P4HTM (0.54) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8869623 0.86 P4HTM (0.49) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8867860 0.85 P4HTM (0.48) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8869429 0.85 P4HTM (0.53) P4HTMRAB9AALDH1A1MCL1SMN1; SMN2
SCHEMBL8869086 0.84 P4HTM (0.45) P4HTMPOLB
SCHEMBL8868613 0.84 RAB9A (0.50) P4HTMNPC1RAB9AALDH1A1MCL1

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