SCHEMBL5331328

SCHEMBL5331328

CCc1ccccc1NCc1c(CO)cnc(CC)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PDXK O00764 1/20 0.34

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
SCHEMBL5307871 0.87 GAA (0.59) GAACA2CA9CA1KMT2A
SCHEMBL4016022 0.75 KDM4E (0.61) GAACA2CA9CA1KMT2A
SCHEMBL14899351 0.71 LMNA (0.65) GAACA2CA9CA1KMT2A
SCHEMBL11469014 0.71 KDM4E (0.47) GAAKMT2AKDM4EALDH1A1HPGD
SCHEMBL12808226 0.68 CA12 (0.75) GAACA2CA9CA1KMT2A
SCHEMBL9461115 0.67 ALDH1A1 (0.51) GAAKMT2AHDAC1HDAC3HDAC2
SCHEMBL370882 0.64 KDM4E (0.54) GAAKMT2AHDAC1HDAC3HDAC2
SCHEMBL893345 0.64 HSD17B10 (0.60) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30093231 0.64 CXCR4 (0.53) GAACA2CA9ALDH1A1HSD17B10
SCHEMBL7673743 0.63 IDO1 (0.50) GAACA2CA9KMT2ANPC1

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
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed