SCHEMBL20718362

SCHEMBL20718362

Brc1ccc(-c2ccc(/C=C/c3nc4ccccc4o3)o2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20718364 0.89 APP (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20718361 0.87 APP (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27890469 0.79 MEN1 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20718460 0.76 MAPT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6421503 0.76 SNCA (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6421501 0.76 SNCA (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20718457 0.75 MEN1 (0.48) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL20718455 0.73 HPGD (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9000333 0.70 SNCA (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22955025 0.70 APP (0.56) 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-2019025595-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2019-02-07 — — WO disclosed
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