SCHEMBL22336173

SCHEMBL22336173

COC(=O)CNC(=O)c1cc[n+](C)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
STAMBP O95630 1/20 0.43
MAPK1 P28482 1/20 0.42
XDH P47989 2/20 0.42
ACHE P22303 1/20 0.40
EGLN1 Q9GZT9 5/20 0.40
VEGFA P15692 2/20 0.40
FLT1 P17948 2/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL22322802 0.91 KDM4E (0.41) KDM4EGAASMN1; SMN2MEN1TSHR
SCHEMBL22322616 0.85 SMN1; SMN2 (0.36) KDM4EGAASMN1; SMN2MEN1TSHR
SCHEMBL22336362 0.85 KDM4E (0.46) KDM4ESMN1; SMN2KMT2AMAPK1EGLN1
Trifluoroacetic Acid SCHEMBL22322615 0.79 KDM4E (0.38) KDM4EEGLN1VEGFAFLT1EGLN3
SCHEMBL22336302 0.76 ALDH1A1 (0.49) KDM4ETSHRMAPK1XDHALDH1A1
SCHEMBL8947242 0.75 KMT2A (0.67) KDM4EGAASMN1; SMN2MEN1TSHR
Iodide SCHEMBL22322566 0.74 ALDH1A1 (0.47) KDM4ETSHRMAPK1XDHALDH1A1
SCHEMBL22322593 0.74 KDM4E (0.51) KDM4EGAASMN1; SMN2MEN1TSHR
SCHEMBL290125 0.73 THRB (0.69) SMN1; SMN2MEN1TSHRKMT2AHSD17B10
SCHEMBL22336228 0.72 P4HTM (0.53)

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-2020161248-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 WO disclosed