SCHEMBL10386403

SCHEMBL10386403

CCCCc1c(C)nc(NCC)nc1CS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 3/20 0.31
POLB P06746 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SLC29A1 Q99808 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
SCHEMBL3078741 0.82 TLR8 (0.32) TLR8TLR7L3MBTL1MEN1GAA
SCHEMBL27953685 0.78 TLR8 (0.46) TLR8TLR7L3MBTL1GAAKDM4E
Ethirimol SCHEMBL8818899 0.74 TLR8 (0.41) TLR8TLR7L3MBTL1MEN1GAA
Ethirimol SCHEMBL20692 0.74 TLR8 (0.41) TLR8TLR7L3MBTL1MEN1GAA
SCHEMBL11621518 0.71 LMNA (0.46) TLR8TLR7KMT2AKDM4ELMNA
Bupirimate SCHEMBL22961 0.69 TLR8 (0.33) TLR8TLR7L3MBTL1GAACA1
Bupirimate SCHEMBL29394855 0.69 TLR8 (0.33) TLR8TLR7L3MBTL1GAACA1
SCHEMBL28707607 0.69 MAPT (0.33) TLR8TLR7L3MBTL1GAAKDM4E
Bupirimate SCHEMBL29177491 0.69 TLR8 (0.32) TLR8TLR7L3MBTL1GAAHTT
Bupirimate SCHEMBL6008749 0.69 TLR8 (0.32) TLR8TLR7L3MBTL1GAAHTT

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-4910200-A Agricultural fungicide CELAMERCK GMBH & CO. KG (DE) 1990-03-20 US disclosed