SCHEMBL2022140

SCHEMBL2022140

CCn1c(CNC(=O)OC(C)(C)C)nc2cc(C(=O)O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
BRD4 O60885 1/20 0.50
THRB P10828 7/20 0.49
KMT2A Q03164 6/20 0.49
KDM4E B2RXH2 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
HSP90AA1 P07900 2/20 0.49
HSP90AB1 P08238 2/20 0.49
MAPT P10636 1/20 0.49
PABPC1 P11940 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RECQL P46063 4/20 0.48
POLB P06746 3/20 0.48
FGB P02675 1/20 0.48
YWHAG P61981 1/20 0.46

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
SCHEMBL29624930 0.91 ACSS2 (0.50) HDAC6BRD4HTTPTGER4
SCHEMBL20209601 0.91 ACSS2 (0.50) HDAC6BRD4HTTPTGER4
SCHEMBL1542762 0.89 BRD4 (0.53) HDAC6BRD4THRBKMT2AKDM4E
SCHEMBL12636229 0.86 HDAC6 (0.45) HDAC6BRD4KDM4EGAAPOLB
SCHEMBL12634781 0.83 GNRHR (0.49) HDAC6KDM4EALDH1A1GAAHPGD
SCHEMBL17937112 0.83 S1PR1 (0.43) HDAC6BRD4KDM4EHSD17B10HTT
SCHEMBL12634827 0.83 HTT (0.57) KMT2AMEN1HPGDMAPTRECQL
SCHEMBL20209579 0.83 ACSS2 (0.47) BRD4KDM4EHTT
SCHEMBL22135974 0.82 STING1 (0.52) KMT2AMEN1STING1
SCHEMBL12635683 0.82 ACSS2 (0.53) BRD4KMT2AKDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed