SCHEMBL29445697

SCHEMBL29445697

COC(=O)c1ccc(Cn2cnc3c(Cl)nc(Cl)nc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 8/20 0.78
HDAC6 Q9UBN7 10/20 0.60
HDAC1 Q13547 9/20 0.60
HDAC4 P56524 6/20 0.60
HDAC2 Q92769 6/20 0.60
HDAC3 O15379 5/20 0.60
HDAC7 Q8WUI4 5/20 0.60
HDAC10 Q969S8 5/20 0.60
HDAC11 Q96DB2 5/20 0.60
HDAC8 Q9BY41 5/20 0.60
HDAC9 Q9UKV0 5/20 0.60
HDAC5 Q9UQL6 5/20 0.60
NCOR2 Q9Y618 2/20 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
SCHEMBL12537305 0.90 YTHDC1 (0.64) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL3395646 0.89 HDAC6 (0.73) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL19539867 0.88 YTHDC1 (0.74) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL27387456 0.87 YTHDC1 (1.00) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL29183714 0.85 YTHDC1 (0.80) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL29183741 0.85 YTHDC1 (0.70) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL29445701 0.85 YTHDC1 (0.72) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL17815605 0.84 HDAC6 (0.62) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL29183760 0.84 YTHDC1 (0.77) YTHDC1HDAC6HDAC1HDAC4HDAC2
SCHEMBL28726438 0.82 YTHDC1 (0.74) YTHDC1HDAC6HDAC1HDAC4HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292269-B O-aminopurine benzamide derivative and preparation method and application thereof 南昌大学 2024-03-29 CN disclosed
CN-114292269-A O-aminopurine benzamide derivative and preparation method and application thereof 南昌大学 2022-04-08 CN disclosed