SCHEMBL11564013

SCHEMBL11564013

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA2 P17301 1/20 0.33
MAPT P10636 2/20 0.33
LSS P48449 2/20 0.33
FFAR1 O14842 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL11585145 0.92 DPP4 (0.48) DPP4NPSR1SMN1; SMN2LMNATDP1
SCHEMBL11567361 0.90 DPP4 (0.45) DPP4NPSR1SMN1; SMN2LMNATDP1
SCHEMBL11558337 0.87 DPP4 (0.43) DPP4NPSR1SMN1; SMN2LMNATDP1
SCHEMBL11557261 0.87 DPP4 (0.43) DPP4NPSR1SMN1; SMN2LMNATDP1
SCHEMBL11563797 0.85 NPSR1 (0.37) DPP4NPSR1SMN1; SMN2LMNATDP1
SCHEMBL11558968 0.83 CNR2 (0.37) DPP4NPSR1SMN1; SMN2TDP1ITGB1
SCHEMBL11559329 0.82 DPP4 (0.45) DPP4LMNATDP1HTTKMT2A
SCHEMBL11562541 0.81 CNR2 (0.42) NPSR1TDP1ITGB1ITGA2
SCHEMBL11567102 0.81 DPP4 (0.44) DPP4TDP1MAPTKMT2A
SCHEMBL11565348 0.80 TDP1 (0.37) DPP4NPSR1SMN1; SMN2TDP1ITGB1

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