SCHEMBL11566808

SCHEMBL11566808

CCCN(CCOC)C(=O)n1cnc(S(=O)(=O)N(C)c2ccc(F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
MAPT P10636 2/20 0.33
FFAR1 O14842 1/20 0.32
NAMPT P43490 1/20 0.32
MLYCD O95822 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
HPGD P15428 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
SCHEMBL11565348 0.90 TDP1 (0.37) KMT2AHSD17B10NPSR1TDP1POLB
SCHEMBL11563797 0.85 NPSR1 (0.37) KMT2ANPSR1TDP1LMNAPOLB
SCHEMBL11557261 0.85 DPP4 (0.43) KMT2ANPSR1TDP1LMNAPOLB
SCHEMBL11561717 0.84 CNR2 (0.36) NPSR1TDP1LMNAMAPTFFAR1
SCHEMBL11562507 0.83 CNR2 (0.40) KMT2AHSD17B10NPSR1TDP1MAPT
SCHEMBL11560322 0.82 AHR (0.35) TDP1NAMPTMLYCDHTTSMN1; SMN2
SCHEMBL11564910 0.81 CYP2C9 (0.35) KMT2ATDP1LMNANAMPTMLYCD
SCHEMBL11558968 0.81 CNR2 (0.37) KMT2ANPSR1TDP1MAPTFFAR1
SCHEMBL11376313 0.80 AHR (0.36) NAMPTMLYCD
SCHEMBL11562541 0.79 CNR2 (0.42) NPSR1TDP1

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
US-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed