SCHEMBL11565348

SCHEMBL11565348

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA2 P17301 1/20 0.34
MAPT P10636 2/20 0.33
CNR2 P34972 1/20 0.33
FFAR1 O14842 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP4 P27487 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
SCHEMBL11561717 0.94 CNR2 (0.36) TDP1NPSR1ITGB1ITGA2MAPT
SCHEMBL11562507 0.93 CNR2 (0.40) TDP1NPSR1ITGB1ITGA2MAPT
SCHEMBL11563797 0.90 NPSR1 (0.37) TDP1POLBAPEX1NPSR1ITGB1
SCHEMBL11566808 0.90 KMT2A (0.42) TDP1POLBAPEX1NPSR1MAPT
SCHEMBL11557261 0.90 DPP4 (0.43) TDP1POLBAPEX1NPSR1ITGB1
SCHEMBL11567361 0.86 DPP4 (0.45) TDP1NPSR1ITGB1ITGA2MAPT
SCHEMBL11558968 0.86 CNR2 (0.37) TDP1NPSR1ITGB1ITGA2MAPT
SCHEMBL11562541 0.84 CNR2 (0.42) TDP1NPSR1ITGB1ITGA2CNR2
SCHEMBL11585145 0.84 DPP4 (0.48) TDP1NPSR1ITGB1ITGA2MAPT
SCHEMBL11559273 0.82 KMT2A (0.44) NPSR1MAPTCNR2KMT2AHSD17B10

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