SCHEMBL29110768

SCHEMBL29110768

O=C(NO)c1ccc(Cn2nc(-c3ccc4c(c3)nnn4C3CC3)cc2-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 0.49
▸ HDAC3 O15379 10/20 0.47
▸ HDAC4 P56524 10/20 0.47
▸ HDAC1 Q13547 10/20 0.47
▸ HDAC7 Q8WUI4 10/20 0.47
▸ HDAC2 Q92769 10/20 0.47
▸ HDAC10 Q969S8 10/20 0.47
▸ HDAC11 Q96DB2 10/20 0.47
▸ HDAC8 Q9BY41 10/20 0.47
▸ HDAC9 Q9UKV0 10/20 0.47
▸ HDAC5 Q9UQL6 10/20 0.47
▸ NCOR2 Q9Y618 10/20 0.47
▸ HCAR3 P49019 3/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL29605823 1.00 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605357 0.97 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110753 0.97 HDAC6 (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606064 0.92 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110779 0.92 HDAC6 (0.55) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606594 0.91 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110756 0.91 HDAC6 (0.50) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29605449 0.89 HDAC6 (0.63) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29110724 0.89 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29606099 0.89 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7

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-114621194-B 4-methylene-N-hydroxybenzoamide compound and application thereof 沈阳药科大学 2023-08-29 — — CN disclosed
Send feedback