SCHEMBL4621994

SCHEMBL4621994

COC(=O)Oc1cnn(-c2ccccn2)c1S(=O)(=O)N(C(N)=O)c1nc(C)cc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
FPR1 P21462 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
KIT P10721 3/20 0.33
FLT3 P36888 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
FFAR4 Q5NUL3 2/20 0.33
SPR P35270 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL275840 0.86 HPGD (0.44) HPGDNPC1TP53RAB9AFPR1
SCHEMBL1808523 0.83 HPGD (0.41) HPGDNPC1TP53RAB9AFPR1
SCHEMBL2478711 0.79 TP53 (0.39) HPGDNPC1TP53RAB9AFPR1
SCHEMBL8110982 0.76 ALDH1A1 (0.37) HPGDALDH1A1NPSR1USP2MAPT
SCHEMBL7798073 0.71 GAA (0.46) TP53FPR1ALDH1A1MAPTKIT
SCHEMBL6905815 0.70 KMT2A (0.39) HPGDNPC1TP53RAB9AFPR1
SCHEMBL27546445 0.70 HPGD (0.43) HPGDNPC1TP53RAB9AFPR1
SCHEMBL27295828 0.67 KDM4E (0.56) ALDH1A1NPSR1USP2MAPTKDM4E
SCHEMBL6054812 0.66 CA1 (0.50) HPGDNPC1ALDH1A1MAPTKDM4E
SCHEMBL275841 0.66 TP53 (0.42) HPGDNPC1TP53RAB9AFPR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891855-A1 Novel microemulsion concentrates Bayer CropScience AG (DE) 2008-02-27 EP disclosed
EP-1882414-A1 Melt granules Bayer CropScience AG (DE) 2008-01-30 EP disclosed