SCHEMBL29601165

SCHEMBL29601165

CCCCNc1nc(F)nc2ncn(C(C)=O)c12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.40
TLR7 Q9NYK1 12/20 0.38
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.34

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
SCHEMBL29601196 0.86 HDAC1 (0.43) TLR8TLR7POLBL3MBTL1CYP2C9
SCHEMBL29601395 0.80 HDAC1 (0.43)
SCHEMBL29601423 0.77 ALDH1A1 (0.36) POLB
SCHEMBL29601224 0.69 HDAC1 (0.58)
SCHEMBL29601461 0.68 SQOR (0.34) POLBL3MBTL1
SCHEMBL29601499 0.64 GAA (0.35) L3MBTL1CYP2C9
SCHEMBL29601167 0.64 ALDH1A1 (0.36) POLB
SCHEMBL24846612 0.63 CYP1A2 (0.62)
SCHEMBL29601247 0.62 SLC29A1 (0.39) POLB
SCHEMBL16513142 0.62 CTSL (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 EP disclosed