SCHEMBL9939753

SCHEMBL9939753

Nc1ccccc1S(=O)(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(Cl)cc2)Nc2cc(F)cc(Cl)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
CYP2D6 P10635 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ACLY P53396 2/20 0.33
PTK2B Q14289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FADS1 O60427 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN5 P54829 1/20 0.33
HSD11B1 P28845 1/20 0.32
BCHE P06276 1/20 0.32
NFKBIA P25963 1/20 0.32
RELA Q04206 1/20 0.32
SLC40A1 Q9NP59 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
SCHEMBL16621986 0.89 SLC22A12 (0.39) RXFP1ACLYPTPN2PTPN1PTPN5
SCHEMBL9939774 0.84 RXFP1 (0.40) RXFP1CYP2D6MEN1KMT2ALMNA
SCHEMBL9938594 0.83 NAMPT (0.41) RXFP1MEN1KMT2ALMNAKDM4E
SCHEMBL9939541 0.82 CYP2D6 (0.38) RXFP1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL9939469 0.82 CNR1 (0.44) RXFP1CYP2D6MEN1KMT2ALMNA
SCHEMBL9939397 0.81 IDH1 (0.40) RXFP1MEN1KMT2ALMNAACLY
SCHEMBL9939437 0.80 RXFP1 (0.39) RXFP1MEN1KMT2ALMNAKDM4E
SCHEMBL9939492 0.79 CYP2D6 (0.40) RXFP1CYP2D6MEN1KMT2AKDM4E
SCHEMBL17279296 0.77 FBP1 (0.38) ACLYPTPN2PTPN1PTPN5SLC40A1
SCHEMBL9939525 0.74 CYP2D6 (0.38) RXFP1CYP2D6MEN1KMT2AMAPT

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