SCHEMBL9939437

SCHEMBL9939437

CC(C)(C)CN/C(=N/C(=O)c1ccc(Cl)cc1)Nc1cccc(NS(=O)(=O)c2ccccc2N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
HSD11B1 P28845 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NFKBIA P25963 2/20 0.34
RELA Q04206 2/20 0.34
SLC40A1 Q9NP59 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
IDH1 O75874 4/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN5 P54829 1/20 0.32

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
SCHEMBL9939767 0.89 HSD11B1 (0.43) RXFP1HSD11B1L3MBTL1MEN1KMT2A
SCHEMBL16621985 0.89 FBP1 (0.38) RXFP1HSD11B1L3MBTL1SLC40A1LMNA
SCHEMBL9939768 0.86 RXFP1 (0.43) RXFP1HSD11B1L3MBTL1LMNA
SCHEMBL16621987 0.83 NAMPT (0.42) RXFP1HSD11B1L3MBTL1MEN1KMT2A
SCHEMBL9939397 0.83 IDH1 (0.40) RXFP1MEN1KMT2ALMNAIDH1
SCHEMBL16621982 0.83 RXFP1 (0.40) RXFP1HSD11B1L3MBTL1IDH1MAPT
SCHEMBL9939557 0.83 RXFP1 (0.47) RXFP1MEN1KMT2AKDM4ELMNA
SCHEMBL9939755 0.82 SCN9A (0.41) RXFP1HSD11B1L3MBTL1KDM4ELMNA
SCHEMBL16621984 0.82 RXFP1 (0.46) RXFP1RELAMEN1KMT2ALMNA
SCHEMBL9939753 0.80 RXFP1 (0.37) RXFP1HSD11B1L3MBTL1NFKBIARELA

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-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed