SCHEMBL9065400

SCHEMBL9065400

NC(N)=NC(=O)c1cccc(-n2cccc2CC=NO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 7/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
APEX1 P27695 5/20 0.44
TDP1 Q9NUW8 5/20 0.44
MAPT P10636 4/20 0.44
RECQL P46063 4/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
NSD2 O96028 1/20 0.44
NR4A1 P22736 1/20 0.44
MAPK1 P28482 1/20 0.44
PTPN7 P35236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC9A1 P19634 4/20 0.36
HTR2B P41595 5/20 0.34
HTR7 P34969 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 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
SCHEMBL9065396 1.00 POLB (0.44) POLBL3MBTL1APEX1TDP1MAPT
Hydrochloric Acid SCHEMBL9045263 0.99 POLB (0.44) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL7843385 0.80 MAPT (0.45) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL7843394 0.80 MAPT (0.45) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL7828944 0.80 POLB (0.41) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL7827587 0.80 PDGFRB (0.38) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL1389017 0.80 POLB (0.70) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL7825568 0.80 POLB (0.70) POLBL3MBTL1APEX1TDP1MAPT
SCHEMBL1389018 0.80 POLB (0.70) POLBL3MBTL1APEX1TDP1MAPT
Hydrochloric Acid SCHEMBL7823645 0.79 PDGFRB (0.38) POLBL3MBTL1APEX1TDP1MAPT

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
EP-0699185-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-03-06 EP claimed