SCHEMBL541879

SCHEMBL541879

O=C1N=NC(c2ccccc2I)=N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C1R P00736 8/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
KLK1 P06870 1/20 0.37
PRSS1 P07477 1/20 0.37
C1S P09871 1/20 0.37
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CDC25B P30305 1/20 0.32
KCNN4 O15554 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CES2 O00748 1/20 0.31
APAF1 O14727 1/20 0.31
TERT O14746 1/20 0.31
NPC1 O15118 1/20 0.31
PLIN1 O60240 1/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL4780828 0.76 HPGD (0.40) MEN1KMT2AMAOAMAOBKDM4E
SCHEMBL3056752 0.70 MAPT (0.39) MEN1KMT2AKDM4ENPC1LMNA
SCHEMBL1226577 0.67 MEN1 (0.39) C1RF2PLGKLK1PRSS1
SCHEMBL14236912 0.64 MEN1 (0.42) C1RF2PLGKLK1PRSS1
Sulfur Dioxide SCHEMBL21463007 0.63 MEN1 (0.38) C1RF2PLGKLK1PRSS1
SCHEMBL18167019 0.63 ESR2 (0.42) MEN1KMT2AMAOAMAOBPOLB
SCHEMBL11046375 0.62 C1R (0.37) C1RF2PLGKLK1PRSS1
SCHEMBL18920614 0.61 NPC1 (0.39) C1RF2PLGKLK1PRSS1
SCHEMBL8045296 0.60 DCUN1D1 (0.42) MEN1KMT2AKDM4ENPC1PPARG
SCHEMBL12110836 0.60 TSHR (0.45) C1RNPC1RAB9ASMN1; SMN2

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
EP-2414463-A1 METHOD FOR TREATING AND/OR COATING A SUBSTRATE WITH NON-CHROME MATERIALS PRC-DESOTO INTERNATIONAL, INC. (US) 2012-02-08 EP disclosed
WO-2010117479-A1 METHOD FOR TREATING AND/OR COATING A SUBSTRATE WITH NON-CHROME MATERIALS PRC-DESOTO INTERNATIONAL, INC. (US) 2010-10-14 WO disclosed