SCHEMBL29554641

SCHEMBL29554641

COc1cc(-c2nc(SCc3cccc(C)c3)[nH]c(=O)c2C#N)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 1.00
MEN1 O00255 5/20 0.60
POLB P06746 5/20 0.60
KMT2A Q03164 5/20 0.60
ACMSD Q8TDX5 3/20 0.59
TNF P01375 2/20 0.59
NOD2 Q9HC29 2/20 0.59
NOD1 Q9Y239 2/20 0.59
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
DCUN1D1 Q96GG9 1/20 0.57
CXCR2 P25025 1/20 0.57

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
SCHEMBL29272646 1.00 BRD4 (1.00) BRD4MEN1POLBKMT2AACMSD
SCHEMBL29554397 0.91 BRD4 (0.83) BRD4MEN1POLBKMT2AACMSD
SCHEMBL29272643 0.91 BRD4 (0.83) BRD4MEN1POLBKMT2AACMSD
SCHEMBL29272638 0.90 BRD4 (1.00) BRD4MEN1POLBKMT2AACMSD
SCHEMBL29272644 0.89 BRD4 (1.00) BRD4MEN1POLBKMT2AACMSD
SCHEMBL23892607 0.86 ACMSD (0.79) BRD4MEN1POLBKMT2AACMSD
SCHEMBL29272622 0.84 BRD4 (1.00) BRD4MEN1POLBKMT2ACXCR2
SCHEMBL23892718 0.84 ACMSD (0.75) BRD4MEN1POLBKMT2AACMSD
SCHEMBL29272636 0.84 BRD4 (1.00) BRD4MEN1POLBKMT2ATNF
SCHEMBL20099427 0.82 MEN1 (0.78) BRD4MEN1POLBKMT2AACMSD

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
CN-114409603-B Pyrimidinone thioether compound and application thereof 中国药科大学 2023-11-07 CN disclosed
CN-114409603-A Pyrimidone thioether compound and application thereof 中国药科大学 2022-04-29 CN disclosed