SCHEMBL30185531

SCHEMBL30185531

COC(=O)c1ccc2c(ccn2Cc2ccc(C#N)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.58
HDAC8 Q9BY41 11/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC1 Q13547 11/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC3 O15379 9/20 0.54
HDAC10 Q969S8 6/20 0.54
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
EPHX2 P34913 1/20 0.50
HDAC9 Q9UKV0 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
HSP90AA1 P07900 1/20 0.46
HSP90B1 P14625 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL28573114 1.00 HDAC6 (0.58) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL28573532 0.85 PLG (0.53) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL28582440 0.85 HDAC6 (0.78) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL30185500 0.85 HDAC6 (0.78) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL30185520 0.85 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL30185511 0.85 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL6086357 0.85 HDAC6 (0.65) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL28586566 0.85 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL6705753 0.84 HDAC6 (0.66) HDAC6HDAC8HDAC11HDAC1HDAC2
SCHEMBL30185516 0.84 HDAC6 (0.66) HDAC6HDAC8HDAC11HDAC1HDAC2

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-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed