SCHEMBL1929911

SCHEMBL1929911

COc1cc(NC(=O)C2CC2)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ GABRA5 P31644 1/20 0.49
▸ TSHR P16473 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ PTGS2 P35354 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ ROCK2 O75116 1/20 0.41

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
SCHEMBL1930375 0.88 ALDH1A1 (0.49) GABRA5TSHRHPGDHSD17B10POLB
SCHEMBL1930363 0.88 NPC1 (0.50) MAPK1TSHRHPGDHSD17B10POLB
SCHEMBL3864355 0.86 MAPK1 (0.45) MAPK1GABRA5TSHRHPGDHSD17B10
SCHEMBL3862847 0.83 L3MBTL1 (0.53) MAPK1TSHRHPGDHSD17B10L3MBTL1
SCHEMBL1930206 0.83 L3MBTL1 (0.48) MAPK1GABRA5TSHRHPGDHSD17B10
SCHEMBL1929051 0.83 L3MBTL1 (0.51) MAPK1TSHRHPGDHSD17B10POLB
SCHEMBL1930896 0.82 L3MBTL1 (0.44) TSHRHPGDHSD17B10POLBL3MBTL1
SCHEMBL1931057 0.82 L3MBTL1 (0.45) MAPK1TSHRHPGDHSD17B10L3MBTL1
SCHEMBL1929849 0.82 L3MBTL1 (0.46) MAPK1GABRA5TSHRHPGDHSD17B10
SCHEMBL1930420 0.81 L3MBTL1 (0.49) MAPK1TSHRHSD17B10L3MBTL1USP2

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
US-7956074-B2 Aryl-isoxazolo-4-yl-oxadiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-06-07 — — US disclosed
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