SCHEMBL24578003

SCHEMBL24578003

O=C(NO)c1c(F)cc(Cn2sc3ccccc3c2=O)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.58
▸ HDAC7 Q8WUI4 4/20 0.58
▸ HDAC8 Q9BY41 4/20 0.58
▸ HDAC6 Q9UBN7 4/20 0.58
▸ HDAC5 Q9UQL6 4/20 0.58
▸ HDAC4 P56524 3/20 0.58
▸ HDAC9 Q9UKV0 3/20 0.58
▸ HDAC3 O15379 2/20 0.58
▸ FAAH O00519 1/20 0.53
▸ MGLL Q99685 1/20 0.53
▸ CASP3 P42574 5/20 0.51
▸ G6PD P11413 3/20 0.42
▸ KAT2A Q92830 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ CASP7 P55210 1/20 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
SCHEMBL8230178 0.74 HDAC1 (1.00) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL24577995 0.71 HDAC1 (0.70) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL79203 0.70 CASP3 (1.00) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL24327914 0.68 CASP3 (1.00) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL21846444 0.68 CASP3 (0.81) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL8222491 0.68 CASP3 (0.75) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL13606221 0.66 G6PD (0.72) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL20022708 0.66 CASP3 (0.77) HDAC1HDAC7HDAC8HDAC6HDAC5
SCHEMBL2963555 0.64 CASP3 (0.68) FAAHMGLLCASP3G6PDKAT2A
SCHEMBL13606231 0.64 HDAC3 (0.72) HDAC1HDAC7HDAC8HDAC6HDAC5

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
WO-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 — — WO disclosed
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