SCHEMBL22743005

SCHEMBL22743005

NC1=Nc2cc(Br)ccc2C2=NCCN12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 14/20 0.55
HDAC4 P56524 6/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC6 Q9UBN7 3/20 0.46
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
PTGS2 P35354 2/20 0.38
DNMT1 P26358 1/20 0.37
RAD52 P43351 1/20 0.37
UHRF1 Q96T88 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL31167506 0.84 HDAC8 (0.57) HDAC8HDAC4HDAC7HDAC5HDAC6
SCHEMBL22743540 0.82 HDAC8 (0.55) HDAC8HDAC4HDAC7HDAC5HDAC6
SCHEMBL2260946 0.82 PTAFR (0.41) HDAC8HDAC4HDAC7HDAC5HDAC6
SCHEMBL2258835 0.78 HDAC8 (0.57) HDAC8HDAC4HDAC6HPGDHDAC3
SCHEMBL86872 0.78 DNMT1 (0.53) HDAC8HDAC4DNMT1RAD52UHRF1
Bromide SCHEMBL2260972 0.77 HDAC8 (0.56) HDAC8HDAC4HDAC6HPGDHDAC3
Bromide SCHEMBL81705 0.74 LGMN (0.46) HPGD
SCHEMBL12985464 0.72 HDAC8 (0.42) HDAC8HDAC4HDAC7HDAC5HDAC6
SCHEMBL87137 0.70 HDAC8 (0.40) HDAC8HDAC4HDAC7HDAC5HDAC6
SCHEMBL80988 0.69 GAA (0.47) HDAC8HDAC6PTGS2HDAC1

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
WO-2020243178-A1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS ANGEX PHARMACEUTICAL, INC. (US) 2020-12-03 WO disclosed