SCHEMBL28548277

SCHEMBL28548277

O=C(O)N1CCC(/C=C/Br)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL28548278 1.00 HDAC8 (0.33) HDAC8HDAC1HDAC6ALDH1A1NPC1
SCHEMBL14247051 0.80 HDAC8 (0.31) HDAC8HDAC1HDAC6
SCHEMBL1186609 0.80 HDAC8 (0.31) HDAC8HDAC1HDAC6
SCHEMBL1186606 0.80 HDAC8 (0.31) HDAC8HDAC1HDAC6
SCHEMBL27636829 0.79 HDAC8 (0.36) HDAC8HDAC1HDAC6
SCHEMBL18587007 0.78
SCHEMBL18587005 0.78
SCHEMBL453485 0.76
SCHEMBL14246901 0.75
SCHEMBL12284475 0.75

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-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed