SCHEMBL28634841

SCHEMBL28634841

CNNC(=O)c1ccc(Br)nc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
HDAC1 Q13547 3/20 0.47
BAZ2B Q9UIF8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HCAR3 P49019 1/20 0.40
FDFT1 P37268 1/20 0.39
NNMT P40261 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL856809 0.85 BAZ2B (0.56) HDAC6HDAC1BAZ2BGRM5HDAC2
SCHEMBL6517705 0.81 HDAC1 (0.46) HDAC6HDAC1KDM4EHCAR3
SCHEMBL22230063 0.79 FDFT1 (0.33) HDAC6HDAC1HCAR3FDFT1NNMT
SCHEMBL958814 0.77 HDAC1 (0.46) HDAC6HDAC1GAAP4HTM
SCHEMBL17982190 0.76 P4HTM (0.65) HDAC6HDAC1P4HTM
SCHEMBL11791404 0.76 ALDH1A1 (0.61) HDAC6HDAC1KDM4EGAAALDH1A1
SCHEMBL17796689 0.76 GABRA5 (0.46) HDAC6HDAC1KDM4E
SCHEMBL1462224 0.76 MLYCD (0.56) HDAC6HDAC1KDM4E
SCHEMBL22384226 0.75 HDAC1 (0.59) HDAC6HDAC1KDM4EGAAALDH1A1
SCHEMBL29480657 0.75 KCNJ1 (0.46) HDAC6HDAC1HCAR3NNMTGAA

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-113574055-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-10-29 CN disclosed
CN-113412258-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-17 CN disclosed