SCHEMBL11557261

SCHEMBL11557261

C=CCN(CCC)C(=O)n1cnc(S(=O)(=O)N(C)c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
LMNA P02545 1/20 0.33
LSS P48449 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
SMO Q99835 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL11567361 0.93 DPP4 (0.45) DPP4SMN1; SMN2NPSR1TDP1LMNA
SCHEMBL11585145 0.93 DPP4 (0.48) DPP4SMN1; SMN2NPSR1TDP1LMNA
SCHEMBL11565348 0.90 TDP1 (0.37) DPP4SMN1; SMN2NPSR1TDP1POLB
SCHEMBL11558337 0.89 DPP4 (0.43) DPP4SMN1; SMN2NPSR1TDP1LMNA
SCHEMBL11564013 0.87 DPP4 (0.40) DPP4SMN1; SMN2NPSR1TDP1LMNA
SCHEMBL11563797 0.85 NPSR1 (0.37) DPP4SMN1; SMN2NPSR1TDP1POLB
SCHEMBL11566808 0.85 KMT2A (0.42) SMN1; SMN2NPSR1TDP1POLBAPEX1
SCHEMBL11561717 0.84 CNR2 (0.36) NPSR1TDP1LMNAMAPTITGB1
SCHEMBL11565691 0.84 DPP4 (0.48) DPP4
SCHEMBL11563187 0.84 DPP4 (0.48) DPP4

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