SCHEMBL22017896

SCHEMBL22017896

O=C(O)CC[n+]1ccc(C(=O)NCCc2nccs2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 3/20 0.47
COPS5 Q92905 3/20 0.46
STAMBP O95630 2/20 0.46
NAMPT P43490 1/20 0.43
EGLN1 Q9GZT9 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TBXAS1 P24557 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 2/20 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
SCHEMBL22017894 0.82 RAB9A (0.41) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22017890 0.80 NPC1 (0.53) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22018316 0.77 MAPK1 (0.38) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22018099 0.75 MAPK1 (0.35) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL22018688 0.75 MAPK1 (0.37) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22018692 0.75 MAPK1 (0.37) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL22018304 0.74 GABRA5 (0.39) SMN1; SMN2RAB9ANPC1CYP1A2CYP2C9
SCHEMBL24145392 0.73 CA1 (0.37) KMT2ACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL22018315 0.73 MEN1 (0.34) EGLN1NPC1MEN1KMT2ACYP1A2
SCHEMBL22018297 0.72 BAZ2B (0.39) EGLN1SMN1; SMN2HDAC6

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