SCHEMBL16599755

SCHEMBL16599755

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(Br)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.60
▸ HDAC4 P56524 2/20 0.60
▸ HDAC1 Q13547 2/20 0.60
▸ HDAC7 Q8WUI4 2/20 0.60
▸ HDAC2 Q92769 2/20 0.60
▸ HDAC10 Q969S8 2/20 0.60
▸ HDAC11 Q96DB2 2/20 0.60
▸ HDAC8 Q9BY41 2/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.60
▸ HDAC9 Q9UKV0 2/20 0.60
▸ HDAC5 Q9UQL6 2/20 0.60

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
SCHEMBL16599756 1.00 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599625 0.93 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599623 0.93 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599702 0.91 ITGB2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599700 0.91 ITGB2 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599774 0.89 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599777 0.89 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16609002 0.89 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599809 0.88 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16599917 0.88 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2015048306-A1 NOVEL AGENTS TARGETING CYP51 THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 — — WO disclosed
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