SCHEMBL29208366

SCHEMBL29208366

NCc1ccc2ccn(Cc3ccc(COC(N)=O)cc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PLAU P00749 2/20 0.41
PLG P00747 1/20 0.41
BACE1 P56817 2/20 0.41
HTR6 P50406 2/20 0.40
EPHX2 P34913 2/20 0.39

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
SCHEMBL29208388 0.90 HDAC8 (0.42) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL29208411 0.83 ALDH1A1 (0.48) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL30991824 0.82 BACE1 (0.49) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL24414636 0.82 BACE1 (0.49) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL24414631 0.78 HTR6 (0.57) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL25425543 0.77 TSHR (0.49) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL24414633 0.76 LMNA (0.42) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL30991849 0.76 LMNA (0.42) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL5709288 0.73 TPSAB1 (0.51) HDAC6HDAC3NCOR2F10PRSS1
SCHEMBL29208495 0.73 ADA (0.35) HDAC8HDAC6HDAC1HDAC2HDAC10

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-116391129-A Target binding assays for RAS proteins 普罗美加公司 2023-07-04 CN disclosed