SCHEMBL28600384

SCHEMBL28600384

O=C(O)CCCCCCNC(=O)N1CCc2c(c3ccccc3n2-c2ccccc2F)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.54
PTGDR2 Q9Y5Y4 7/20 0.46
HDAC1 Q13547 3/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 1/20 0.41
ENPP2 Q13822 1/20 0.41
NAMPT P43490 2/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41

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
SCHEMBL28605203 0.91 HDAC6 (0.53) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28618257 0.90 HDAC6 (0.56) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28609703 0.89 HDAC6 (0.58) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28617759 0.88 HDAC6 (0.54) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28607613 0.85 HDAC6 (0.54) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28619052 0.84 HDAC6 (0.53) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28920569 0.84 HDAC6 (0.60) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28609734 0.82 HDAC6 (0.64) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28618140 0.81 HDAC6 (0.61) HDAC6PTGDR2HDAC1HDAC10HDAC8
SCHEMBL28609619 0.80 PTGDR2 (0.48) HDAC6PTGDR2HDAC1HDAC10HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121527-A Tricyclic compound and use thereof 上海辉启生物医药科技有限公司 2021-07-16 CN disclosed