SCHEMBL22017870

SCHEMBL22017870

CC(C)(C#N)NC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CNR2 P34972 3/20 0.35
DGAT2 Q96PD7 1/20 0.34
ANO1 Q5XXA6 4/20 0.31
CTSC P53634 1/20 0.31
PRKD1 Q15139 1/20 0.30
JAK2 O60674 1/20 0.30
JAK3 P52333 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL22017888 0.83 NPC1 (0.38) KMT2ACNR2DGAT2POLB
SCHEMBL22017877 0.81 CTSL (0.35) CTSLCTSSCTSK
SCHEMBL22018297 0.79 BAZ2B (0.39) POLB
SCHEMBL22018099 0.77 MAPK1 (0.35) MEN1KMT2A
SCHEMBL22018692 0.77 MAPK1 (0.37) MEN1KMT2APOLB
SCHEMBL22018667 0.77 CA1 (0.41)
SCHEMBL22017886 0.76 TP53 (0.42) MEN1KMT2APOLB
SCHEMBL22018327 0.76 ALDH1A1 (0.33) POLB
SCHEMBL22018315 0.75 MEN1 (0.34) MEN1KMT2APOLB
SCHEMBL22336368 0.74 P4HTM (0.36) POLB

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-2020099367-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-05-22 WO disclosed