SCHEMBL22018689

SCHEMBL22018689

O=C(O)CC[n+]1ccc(C(=O)NCc2ccccn2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK14 Q16539 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA2 P00918 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
NAMPT P43490 1/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 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
SCHEMBL22018673 0.84 APOBEC3A (0.52) LMNARAB9AALOX15SMN1; SMN2L3MBTL1
SCHEMBL22017894 0.81 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22018099 0.78 MAPK1 (0.35) LMNAMAPK14MEN1KMT2AKDM4E
SCHEMBL22018657 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22018669 0.77 L3MBTL1 (0.50) LMNASMN1; SMN2MAPK14MEN1KMT2A
SCHEMBL22018315 0.76 MEN1 (0.34) POLBNPC1MEN1KMT2AKDM4E
SCHEMBL166484 0.76 LMNA (0.82) LMNAPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL22018297 0.75 BAZ2B (0.39) POLBSMN1; SMN2HTTKDM4ECA2
SCHEMBL22018667 0.75 CA1 (0.41) ALOX15KDM4ECA2NAMPTCYP1A2
Hydrochloric Acid SCHEMBL22322580 0.74 HCAR2 (0.39) POLBKDM4EALDH1A1GAAHPGD

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