SCHEMBL9542985

SCHEMBL9542985

CCN(CC)C(=O)n1cnc(S(=O)(=O)O)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
LMNA P02545 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
POLB P06746 2/20 0.35
P2RX4 Q99571 4/20 0.34
PTBP1 P26599 1/20 0.34
P2RX1 P51575 1/20 0.34
P2RX3 P56373 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BCHE P06276 1/20 0.33
ATM Q13315 1/20 0.33
HTR1A P08908 1/20 0.33
MGLL Q99685 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
SCHEMBL9015551 0.87 DPP4 (0.40) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL9544526 0.87 DPP4 (0.40) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL11561748 0.86 DPP4 (0.40) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL11561239 0.86 DPP4 (0.40) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL10510171 0.84 DPP4 (0.39) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL11561636 0.84 DPP4 (0.39) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL9493429 0.83 DPP4 (0.38) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL7667992 0.83 DPP4 (0.41) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL7657807 0.82 DPP4 (0.38) DPP4LMNAAPOBEC3AAPOBEC3GPOLB
SCHEMBL11561751 0.82 CA9 (0.38) DPP4LMNASMN1; SMN2NPSR1ALDH1A1

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
WO-1993021164-A1 HERBICIDAL TRIAZOLESULFONATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-10-28 WO claimed