SCHEMBL22017877

SCHEMBL22017877

N#CCNC(=O)c1cc[n+](CCC(=O)O)nc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.35
CTSK P43235 5/20 0.34
CTSS P25774 3/20 0.34
CTSB P07858 3/20 0.34
NAMPT P43490 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
MAPK1 P28482 1/20 0.33
APOBEC3A P31941 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL22018692 0.88 MAPK1 (0.37) MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL22018667 0.87 CA1 (0.41) NAMPTMAPK1APOBEC3ACTDSP1APOBEC3G
SCHEMBL22018327 0.86 ALDH1A1 (0.33) MAPK1APOBEC3ACTDSP1APOBEC3GCYP1A2
SCHEMBL22018099 0.85 MAPK1 (0.35) MAPK1APOBEC3ACTDSP1APOBEC3GCYP1A2
SCHEMBL22018315 0.83 MEN1 (0.34) EGLN1MAPK1APOBEC3ACTDSP1APOBEC3G
SCHEMBL22018297 0.82 BAZ2B (0.39) EGLN1
SCHEMBL22018316 0.82 MAPK1 (0.38) MAPK1CYP1A2CYP2C9CYP2C19
SCHEMBL22017870 0.81 MEN1 (0.38) CTSLCTSKCTSS
SCHEMBL22018322 0.81 ACR (0.38) NAMPT
SCHEMBL22017886 0.79 TP53 (0.42) EGLN1CYP2C9

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