SCHEMBL8413618

SCHEMBL8413618

COC(=O)c1cc(S(=O)(=O)Nc2ncc(OC)c(OC)n2)c(C(=O)N(C)C)c(N)c1C(N)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 5/20 0.34
CSNK2A1 P68400 3/20 0.33
ALPL P05186 7/20 0.33
LRRK2 Q5S007 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 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
SCHEMBL7690176 0.73 CDK1 (0.39) CSNK2A1ALPLLRRK2
SCHEMBL6557516 0.65 LMNA (0.65) MEN1KMT2A
SCHEMBL9741501 0.63 KMT2A (0.41) LRRK2KMT2AP2RX3P2RX2POLB
SCHEMBL9199568 0.62 CDK1 (0.39) ALPLMEN1KMT2AKDM4E
SCHEMBL11359430 0.61 GAA (0.36) LRRK2MEN1KMT2AKDM4E
SCHEMBL9863318 0.61 LMNA (0.40) MEN1KMT2A
SCHEMBL321272 0.61 KMT2A (0.44) KMT2AP2RX3P2RX2KDM4EPOLB
SCHEMBL8412389 0.61 CDK1 (0.54) ALPLKMT2AKDM4EPOLB
SCHEMBL12479240 0.60 KDM4E (0.48) LRRK2MEN1KMT2AKDM4E
SCHEMBL15546168 0.60 LMNA (0.48) ALPLMEN1KMT2A

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-5922646-A PRE-EMERGENCE AND POST-EMERGENCE HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1999-07-13 US disclosed