SCHEMBL8324185

SCHEMBL8324185

Cn1c(NCCNCCNCc2ccc(F)cc2)c(C#N)c(=N)n(C)c1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 4/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 3/20 0.34
MITF O75030 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 3/20 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
SCHEMBL8329010 0.92 CHRM2 (0.41) CHRM2ALDH1A1KDM4EGAAPOLB
SCHEMBL8328869 0.92 CHRM2 (0.44) CHRM2ALDH1A1KDM4EGAAPOLB
SCHEMBL8325662 0.91 CHRM2 (0.46) CHRM2ALDH1A1KDM4EGAAPOLB
SCHEMBL8330575 0.89 MEN1 (0.35) CHRM2ALDH1A1KDM4EGAAPOLB
SCHEMBL8322051 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EGAAPOLBL3MBTL1
SCHEMBL8327788 0.77 MEN1 (0.37) CHRM2ALDH1A1KDM4EGAAPOLB
SCHEMBL8329466 0.76 NRP1 (0.33) ALDH1A1KDM4EGAAL3MBTL1TP53
SCHEMBL8326290 0.74 MCHR1 (0.38) ALDH1A1KDM4EL3MBTL1MAPTNPSR1
SCHEMBL8327922 0.74 BCHE (0.35) CHRM2ALDH1A1KDM4EHTTMITF
SCHEMBL8328374 0.73 ACHE (0.42) ACHEMEN1KMT2A

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-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed