SCHEMBL16022045

SCHEMBL16022045

CN1NNN=C1NC(=O)c1nn(C)c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36
DHFR P00374 3/20 0.35
DHODH Q02127 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL17222514 0.76 POLB (0.51) RIPK1MAPTRECQLRAB9AALDH1A1
SCHEMBL17427482 0.76 TYRO3 (0.38) RIPK1MAPTRECQLRAB9AALDH1A1
SCHEMBL248654 0.76 GSK3A (0.47) MAPTRAB9AALDH1A1POLBPKM
SCHEMBL17427486 0.75 CTDSP1 (0.39) RIPK1MAPTRECQLRAB9AALDH1A1
SCHEMBL14877423 0.74 GSK3A (0.44) RAB9AALDH1A1POLBPKMSMN1; SMN2
SCHEMBL19980511 0.72 MAPT (0.36) RIPK1MAPTRECQLRAB9AALDH1A1
SCHEMBL16021998 0.69 ALDH1A1 (0.54) MAPTRECQLRAB9AALDH1A1HTT
SCHEMBL17427394 0.68 POLB (0.44) MAPTRAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL17427391 0.66 POLB (0.50) RIPK1MAPTRAB9AALDH1A1POLB
SCHEMBL16910643 0.66 PGR (0.39) MAPTALDH1A1HTTMEN1KMT2A

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-2014135654-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2014-09-12 WO disclosed