SCHEMBL8869554

SCHEMBL8869554

CC(C)OC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccccc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 6/20 0.51
LMNA P02545 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TSHR P16473 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PRKAA2 P54646 1/20 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
SCHEMBL8869623 0.94 P4HTM (0.49) P4HTMLMNANPC1RAB9AKDM4E
SCHEMBL8867860 0.94 P4HTM (0.48) P4HTMLMNANPC1RAB9AKDM4E
SCHEMBL8867912 0.91 P4HTM (0.49) P4HTMLMNANPC1RAB9AKDM4E
SCHEMBL8867737 0.91 P4HTM (0.40) P4HTMSMN1; SMN2PRKAA2
SCHEMBL8869402 0.90 P4HTM (0.64) P4HTMLMNANPC1RAB9AKDM4E
SCHEMBL8870184 0.90 KMT2A (0.46) P4HTMNPC1RAB9AALDH1A1MMP8
SCHEMBL9142965 0.88 P4HTM (0.57) P4HTMLMNANPC1RAB9AKDM4E
SCHEMBL8868040 0.88 P4HTM (0.47) P4HTMNPC1RAB9AKDM4EALDH1A1
SCHEMBL8868011 0.86 P4HTM (0.53) P4HTMLMNANPC1RAB9AALDH1A1
SCHEMBL8869549 0.86 P4HTM (0.50) P4HTMLMNANPC1RAB9AKDM4E

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