SCHEMBL28707607

SCHEMBL28707607

CCCCc1c(C)nc(NCC)nc1N(C)S(=O)(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
TLR8 Q9NR97 3/20 0.32
TLR7 Q9NYK1 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
Bupirimate SCHEMBL29394855 0.76 TLR8 (0.33) MAPTTLR8TLR7KDM4ECYP1A2
Bupirimate SCHEMBL22961 0.76 TLR8 (0.33) MAPTTLR8TLR7KDM4ECYP1A2
Bupirimate SCHEMBL29177491 0.75 TLR8 (0.32) MAPTTLR8TLR7CYP1A2CYP2C19
Bupirimate SCHEMBL6008749 0.75 TLR8 (0.32) MAPTTLR8TLR7CYP1A2CYP2C19
SCHEMBL27953685 0.74 TLR8 (0.46) TLR8TLR7KDM4ECYP1A2CYP2C19
SCHEMBL3078741 0.70 TLR8 (0.32) TLR8TLR7CYP1A2CYP2C19GAA
SCHEMBL10386403 0.69 TLR8 (0.35) TLR8TLR7KDM4EGAAL3MBTL1
SCHEMBL11621518 0.68 LMNA (0.46) MAPTTLR8TLR7KDM4ECYP1A2
Ethirimol SCHEMBL20692 0.68 TLR8 (0.41) MAPTTLR8TLR7KDM4ECYP1A2
Ethirimol SCHEMBL8818899 0.68 TLR8 (0.41) MAPTTLR8TLR7KDM4ECYP1A2

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
CN-114181158-A Device and method for producing bupirimate in continuous kettle manner 江西禾益化工股份有限公司 2022-03-15 CN disclosed