SCHEMBL23912586

SCHEMBL23912586

CC(C)(C)OC(=O)c1cnc(-c2nc3cc(SC(F)(F)F)ccc3o2)c(S)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.35
▸ HDAC3 O15379 5/20 0.35
▸ HDAC8 Q9BY41 4/20 0.35
▸ HDAC1 Q13547 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AGPAT2 O15120 1/20 0.33
▸ CEPT1 Q9Y6K0 1/20 0.32
▸ CETP P11597 4/20 0.31
▸ UTRN P46939 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ KCNK2 O95069 1/20 0.30

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
SCHEMBL21553535 0.87 HDAC3 (0.33) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL15858543 0.71 UTRN (0.38) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL29431627 0.71 UTRN (0.38) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL21525986 0.71 UTRN (0.39) HDAC6MAPTSMN1; SMN2CETPUTRN
SCHEMBL21919762 0.71 CEPT1 (0.32) HDAC6HDAC3MAPTSMN1; SMN2CEPT1
SCHEMBL21051271 0.70 UTRN (0.35) HDAC6MAPTCEPT1UTRNMEN1
SCHEMBL21810435 0.70 CYP1A2 (0.30) HDAC6UTRN
SCHEMBL21525980 0.70 CYP1A2 (0.30) HDAC6UTRN
SCHEMBL20867331 0.70 UTRN (0.32) MAPTTP53RAB9ASMN1; SMN2UTRN
SCHEMBL18760177 0.70 UTRN (0.35) HDAC6MAPTCEPT1CETPUTRN

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
EP-3564238-B1 FUSED HETEROCYCLIC COMPOUND HAVING OXIME GROUP OR SALTS THEREOF, AGRICULTURAL/HORTICULTURAL INSECTICIDE CONTAINING SAID COMPOUNDS, AND METHOD FOR USING SAID INSECTICIDE NIHON NOHYAKU CO LTD (JP) 2021-10-13 — — EP disclosed
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