SCHEMBL24850463

SCHEMBL24850463

CC1(C)CC(NC(=O)CCCCl)CC(C)(C)N1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPK8 P45983 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 2/20 0.39
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NCOR2 Q9Y618 1/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
MAOB P27338 1/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL24850469 0.90 GAA (0.45) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL316348 0.90 SMN1; SMN2 (0.48) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL5697678 0.86 MAPT (0.45) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL18329658 0.86 SMN1; SMN2 (0.44) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL12846025 0.86 GAA (0.43) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL23793834 0.86 GNAI3 (0.44) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL21236012 0.84 GNAI3 (0.50) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL4407502 0.84 SMN1; SMN2 (0.43) GAAKMT2AKDM4EMAPK8SMN1; SMN2
SCHEMBL2302254 0.83 GAA (0.50) GAAKMT2AKDM4EMAPK8EPHX2
SCHEMBL23793654 0.83 GNAI3 (0.52) KMT2AEPHX2GNAI3GNAO1GNAI1

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-20230006250-A1 IONIC CYCLIC NITROXYL RADICAL OLIGOMERS WISCONSIN ALUMNI RESEARCH FOUNDATION 2023-01-05 US disclosed