SCHEMBL22017868

SCHEMBL22017868

O=C(O)CC[n+]1ccc(C(=O)NC2CS(=O)(=O)C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA5 P31644 2/20 0.33
PIK3CA P42336 1/20 0.32
TNF P01375 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL22018045 0.88 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2APRKAB2
SCHEMBL22017879 0.85 GRM5 (0.43) ALDH1A1L3MBTL1KMT2A
SCHEMBL22017866 0.84 ALDH1A1 (0.34) ALDH1A1L3MBTL1MEN1KMT2APRKAB2
SCHEMBL22017880 0.84 GRM5 (0.44) ALDH1A1KMT2A
SCHEMBL22017865 0.82 ALDH1A1 (0.31) ALDH1A1L3MBTL1MAPTPRKAB2PRKAG1
SCHEMBL22017889 0.80 BRD4 (0.39) ALDH1A1POLB
SCHEMBL22018649 0.79
SCHEMBL22017872 0.78 HDAC6 (0.39) GABRA5
SCHEMBL22018099 0.77 MAPK1 (0.35) MAPTMEN1LMNAKMT2AMAPK1
SCHEMBL22018297 0.77 BAZ2B (0.39) HSD17B10POLB

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