SCHEMBL27647928

SCHEMBL27647928

COc1ccccc1CNc1nccc(OCc2ccccc2)c1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.50
▸ RPS6KB1 P23443 1/20 0.50
▸ ZAP70 P43403 1/20 0.48
▸ KARS1 Q15046 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ PLA2G1B P04054 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ THRB P10828 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
SCHEMBL27668348 0.85 AURKA (0.48) AURKARPS6KB1ZAP70KARS1KMT2A
SCHEMBL27647891 0.82 F2 (0.46) AURKARPS6KB1KMT2AMEN1ALDH1A1
SCHEMBL27647949 0.81 PPIA (0.46) KMT2AALDH1A1TP53NPC1RAB9A
SCHEMBL4599397 0.76 RXRA (0.60) KDM4EALDH1A1MAPTLMNAL3MBTL1
SCHEMBL27668372 0.76 F2 (0.48) ZAP70KARS1KMT2AMEN1KDM4E
SCHEMBL1716082 0.76 NPC1 (0.57) AURKARPS6KB1KMT2AMEN1PLA2G1B
SCHEMBL1376602 0.72 KDM4E (0.59) AURKARPS6KB1KMT2AMEN1KDM4E
SCHEMBL5743109 0.72 FOLH1 (0.57) MAPTL3MBTL1TDP1RXRAHTT
SCHEMBL5988969 0.69 FOLH1 (0.50) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL1373630 0.69 CYP1A2 (0.56) AURKARPS6KB1KMT2AMEN1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 — — CN disclosed
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