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Sugi Predict / Compounds / SCHEMBL21390770

SCHEMBL21390770

SCHEMBL21390770

CC(O)(CC(=O)CCCCc1nc2cc(Cl)c(Cl)nc2n1C1CCC1)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL21390956 0.92 RORC (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390952 0.90 RORC (0.34) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391133 0.85 CYP11B1 (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390955 0.84 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21391134 0.83 RORC (0.33) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390668 0.83 HDAC1 (0.35) ALDH1A1ACSS2HDAC1
SCHEMBL21390764 0.82 CYP11B1 (0.35) ALDH1A1MAPTMAPK1SMN1; SMN2NPSR1
SCHEMBL21390902 0.82 KDM4E (0.32) ALDH1A1
SCHEMBL21391155 0.81 ACSS2 (0.39) ALDH1A1ACSS2HDAC1
SCHEMBL21391072 0.80 PDE10A (0.34) ALDH1A1ACSS2

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 — — WO disclosed