SCHEMBL11558337

SCHEMBL11558337

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.35
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ITGB1 P05556 1/20 0.31
ITGA2 P17301 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LSS P48449 1/20 0.31
RORC P51449 1/20 0.30
CASP6 P55212 1/20 0.30
FFAR1 O14842 1/20 0.30

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 0.93 DPP4 (0.48) DPP4SMN1; SMN2NPSR1LMNATDP1
SCHEMBL11567361 0.91 DPP4 (0.45) DPP4SMN1; SMN2NPSR1LMNATDP1
SCHEMBL11557261 0.89 DPP4 (0.43) DPP4SMN1; SMN2NPSR1LMNATDP1
SCHEMBL11564013 0.87 DPP4 (0.40) DPP4SMN1; SMN2NPSR1LMNATDP1
SCHEMBL11562312 0.85 DPP4 (0.49) DPP4MEN1KMT2A
SCHEMBL11559566 0.82 DPP4 (0.49) DPP4LMNATDP1MEN1KMT2A
SCHEMBL11564930 0.81 DPP4 (0.48) DPP4MEN1KMT2A
SCHEMBL11560647 0.80 DPP4 (0.52) DPP4
SCHEMBL11565348 0.80 TDP1 (0.37) DPP4SMN1; SMN2NPSR1TDP1ITGB1
SCHEMBL11561717 0.78 CNR2 (0.36) NPSR1LMNATDP1ITGB1ITGA2

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