SCHEMBL9378261

SCHEMBL9378261

CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cccc2C)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
POLB P06746 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
P2RX4 Q99571 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTBP1 P26599 1/20 0.33
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX7 Q99572 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL204666 0.93 DPP4 (0.34) DPP4KMT2AKDM4EALDH1A1LMNA
Cafenstrole SCHEMBL54625 0.87 KMT2A (0.49) DPP4KMT2AKDM4EALDH1A1LMNA
SCHEMBL8035572 0.84 HCRTR2 (0.34) DPP4KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015538 0.81 DPP4 (0.34) DPP4KMT2AKDM4EALDH1A1
SCHEMBL9474615 0.80 SLC40A1 (0.36) KMT2AKDM4EALDH1A1LMNANPSR1
SCHEMBL8782230 0.80 KMT2A (0.36) KMT2AKDM4EALDH1A1LMNANPSR1
SCHEMBL9015525 0.79 NPSR1 (0.34) DPP4KMT2AKDM4EALDH1A1LMNA
SCHEMBL9015559 0.79 ALDH1A1 (0.39) DPP4ALDH1A1LMNANPSR1POLB
SCHEMBL9542985 0.79 DPP4 (0.42) DPP4KMT2AKDM4EALDH1A1LMNA
SCHEMBL9379407 0.78 KDM4E (0.38) DPP4KMT2AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5147445-A HERBICIDAL TRIAZOLE COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1992-09-15 US claimed
EP-0332133-B1 Novel triazole compounds, process for producing the same, and herbicidal compositions containing the same CHUGAI PHARMACEUTICAL CO LTD (JP) 1994-08-24 EP disclosed
US-5147445-A HERBICIDAL TRIAZOLE COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1992-09-15 US disclosed
EP-0332133-A1 Novel triazole compounds, process for producing the same, and herbicidal compositions containing the same Chugai Seiyaku Kabushiki Kaisha (JP) 1989-09-13 EP disclosed