SCHEMBL22018673

SCHEMBL22018673

O=C(O)CC[n+]1ccc(C(=O)NCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
HPGDS O60760 5/20 0.49
ALOX15 P16050 1/20 0.48
PPARG P37231 1/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MAPK1 P28482 1/20 0.45
AKT1 P31749 1/20 0.45
GSK3A P49840 1/20 0.45

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
SCHEMBL22018669 0.89 L3MBTL1 (0.50) APOBEC3ACTDSP1APOBEC3GL3MBTL1SMN1; SMN2
SCHEMBL22018689 0.84 LMNA (0.54) L3MBTL1ALOX15SMN1; SMN2HPGDLMNA
SCHEMBL22018668 0.83 CA2 (0.50) APOBEC3ACTDSP1APOBEC3GL3MBTL1HPGDS
SCHEMBL22018099 0.83 MAPK1 (0.35) APOBEC3ACTDSP1APOBEC3GHPGDSHDAC6
SCHEMBL22018657 0.82 NPC1 (0.48) APOBEC3AAPOBEC3GL3MBTL1HDAC2HDAC8
SCHEMBL22018315 0.81 MEN1 (0.34) APOBEC3ACTDSP1APOBEC3GMAPK1HPGD
SCHEMBL22018297 0.80 BAZ2B (0.39) HDAC2HDAC8HDAC6SMN1; SMN2HPGD
SCHEMBL22018672 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDLMNARAB9A
SCHEMBL22018667 0.80 CA1 (0.41) APOBEC3ACTDSP1APOBEC3GALOX15MAPK1
SCHEMBL22336368 0.77 P4HTM (0.36) HPGD

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