SCHEMBL29024210

SCHEMBL29024210

CON(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.57
HDAC4 P56524 12/20 0.57
HDAC1 Q13547 9/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC5 Q9UQL6 5/20 0.51
HDAC3 O15379 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL20521201 0.81 HDAC4 (0.66) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL21900100 0.81 HDAC4 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL21381196 0.80 HDAC6 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL23161794 0.80 HDAC6 (0.54) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593670 0.80 HDAC4 (0.65) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL23650886 0.79 HDAC4 (0.59) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL21899971 0.79 HDAC4 (0.56) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL23161732 0.79 HDAC6 (0.59) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL23650101 0.79 HDAC6 (0.61) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL23650427 0.79 HDAC4 (0.60) HDAC6HDAC4HDAC1HDAC8HDAC5

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-115955916-A Active compound combinations 拜耳公司 2023-04-11 CN disclosed