SCHEMBL29601196

SCHEMBL29601196

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
HDAC2 Q92769 8/20 0.43
TLR8 Q9NR97 3/20 0.39
HDAC8 Q9BY41 7/20 0.39
HDAC3 O15379 6/20 0.39
HDAC4 P56524 6/20 0.39
HDAC7 Q8WUI4 6/20 0.39
HDAC10 Q969S8 6/20 0.39
HDAC11 Q96DB2 6/20 0.39
HDAC6 Q9UBN7 6/20 0.39
HDAC9 Q9UKV0 6/20 0.39
HDAC5 Q9UQL6 6/20 0.39
NCOR2 Q9Y618 1/20 0.39
TLR7 Q9NYK1 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.35
STK17B O94768 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
SCHEMBL29601165 0.86 TLR8 (0.40) TLR8TLR7L3MBTL1POLBCYP2C9
SCHEMBL29601224 0.81 HDAC1 (0.58) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL29601167 0.76 ALDH1A1 (0.36) POLB
SCHEMBL29601395 0.69 HDAC1 (0.43) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL29601330 0.68 SQOR (0.35) HDAC1HDAC2L3MBTL1POLB
SCHEMBL22261421 0.65 JAK3 (0.52) TLR8L3MBTL1KDM4ESTK17BSTK17A
SCHEMBL1937398 0.64 STK17A (0.56) TLR8L3MBTL1KDM4ENPSR1STK17B
SCHEMBL28669450 0.64 ADORA2A (0.40) HDAC1HDAC2POLB
SCHEMBL29601846 0.63 L3MBTL1 (0.36) L3MBTL1KDM4ENPSR1POLB
SCHEMBL29601423 0.63 ALDH1A1 (0.36) POLB

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