SCHEMBL31167506

SCHEMBL31167506

ClC1=Nc2cc(Br)ccc2C2=NCCN12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 16/20 0.57
HDAC4 P56524 8/20 0.53
HDAC5 Q9UQL6 4/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
SMARCA2 P51531 1/20 0.40
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 1/20 0.39
PTAFR P25105 1/20 0.38

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
SCHEMBL22743005 0.84 HDAC8 (0.55) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL7326935 0.78 DNMT1 (0.51) HDAC8HDAC4HDAC5SMARCA2PTAFR
SCHEMBL7330633 0.73 HDAC8 (0.53) HDAC8HDAC4HDAC5HDAC6SMARCA2
SCHEMBL12985464 0.71 HDAC8 (0.42) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL7338632 0.71 HDAC8 (0.53) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL7336717 0.70 HDAC8 (0.51) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL87137 0.69 HDAC8 (0.40) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL7335787 0.67 HDAC8 (0.56) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL18824790 0.67 HDAC8 (0.71) HDAC8HDAC4HDAC5HDAC7HDAC6
SCHEMBL19931148 0.66 S100A4 (0.38)

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-2024240086-A1 COMPOUND FOR REGULATING AND CONTROLLING 15-PGDH ACTIVITY AND PREPARATION METHOD THEREFOR 成都倍特药业股份有限公司 2024-11-28 WO disclosed