SCHEMBL22017875

SCHEMBL22017875

COS(=O)(=O)CC[n+]1ccc(C(=O)Nc2ccccc2O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 3/20 0.37
MAPT P10636 3/20 0.37
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
GAA P10253 2/20 0.37
HDAC2 Q92769 2/20 0.37
MAPK1 P28482 1/20 0.37
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
AHR P35869 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
RPS6KA3 P51812 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL22018325 0.86 NPC1 (0.44) NPC1MEN1KMT2ATP53RAB9A
SCHEMBL22017862 0.82 PLK1 (0.35) HDAC2HTTHDAC8HDAC6
SCHEMBL22018050 0.71 ALDH1A1 (0.47) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL24001136 0.69 MAPK1 (0.36) MAPTMAPK1
SCHEMBL20753258 0.69 CLK4 (0.33)
SCHEMBL22018299 0.68 FDPS (0.36) TP53MAPTLMNA
SCHEMBL24000927 0.67 CYP2A6 (0.37) LMNAHTT
SCHEMBL24000919 0.65 CYP2A6 (0.39)
SCHEMBL24001058 0.65
SCHEMBL22018290 0.65 CA12 (0.41) NPC1MEN1KMT2ARAB9AMAPT

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