SCHEMBL29554397

SCHEMBL29554397

COc1cccc(CSc2nc(-c3cc(OC)c(OC)c(OC)c3)c(C#N)c(=O)[nH]2)c1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.83
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
POLB P06746 4/20 0.60
ACMSD Q8TDX5 2/20 0.59
TNF P01375 1/20 0.56
NOD2 Q9HC29 1/20 0.56
NOD1 Q9Y239 1/20 0.56
CXCR2 P25025 1/20 0.56

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
SCHEMBL29272643 1.00 BRD4 (0.83) BRD4MEN1KMT2APOLBACMSD
SCHEMBL29272646 0.91 BRD4 (1.00) BRD4MEN1KMT2APOLBACMSD
SCHEMBL29554641 0.91 BRD4 (1.00) BRD4MEN1KMT2APOLBACMSD
SCHEMBL29272644 0.85 BRD4 (1.00) BRD4MEN1KMT2APOLBACMSD
SCHEMBL29272638 0.84 BRD4 (1.00) BRD4MEN1KMT2APOLBACMSD
SCHEMBL5937449 0.84 BRD4 (0.62) BRD4MEN1KMT2APOLBACMSD
SCHEMBL29272622 0.82 BRD4 (1.00) BRD4MEN1KMT2APOLBCXCR2
SCHEMBL29272636 0.82 BRD4 (1.00) BRD4MEN1KMT2APOLBTNF
SCHEMBL5937419 0.82 MEN1 (0.64) BRD4MEN1KMT2APOLBACMSD
SCHEMBL5937460 0.81 MEN1 (0.66) BRD4MEN1KMT2APOLBACMSD

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