SCHEMBL30227367

SCHEMBL30227367

Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)C/C=C/c2cccnc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.82
HDAC3 O15379 14/20 0.82
HDAC2 Q92769 13/20 0.82
NCOR2 Q9Y618 6/20 0.65
NAMPT P43490 3/20 0.65
HDAC4 P56524 2/20 0.65
HDAC7 Q8WUI4 2/20 0.65
HDAC10 Q969S8 2/20 0.65
HDAC11 Q96DB2 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC6 Q9UBN7 2/20 0.65
HDAC9 Q9UKV0 2/20 0.65
HDAC5 Q9UQL6 2/20 0.65
NCOR1 O75376 1/20 0.56
KCNH2 Q12809 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
SCHEMBL24086663 1.00 HDAC1 (0.82) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL24086715 0.90 HDAC3 (1.00) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL30227098 0.90 HDAC3 (1.00) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL30227122 0.89 HDAC3 (0.82) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL24086665 0.89 HDAC3 (0.82) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL24086662 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL31412974 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL30227144 0.88 HDAC1 (0.79) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL23992208 0.87 HDAC3 (1.00) HDAC1HDAC3HDAC2NCOR2NAMPT
SCHEMBL30227142 0.87 HDAC3 (1.00) HDAC1HDAC3HDAC2NCOR2NAMPT

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-116033904-A Histone deacetylase inhibitor for tumor microenvironment immunomodulation 华上生技医药股份有限公司 2023-04-28 CN disclosed
EP-4142733-A1 HISTONE DEACETYLASE INHIBITORS FOR IMMUNOMODULATION IN TUMOR MICROENVIRONMENT Great Novel Therapeutics Biotech & Medicals Corporation (TW) 2023-03-08 EP disclosed