SCHEMBL1930472

SCHEMBL1930472

COc1cc(NS(=O)(=O)C(C)C)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ BRD4 O60885 3/20 0.40
▸ BRD2 P25440 3/20 0.40
▸ BRD3 Q15059 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ CA13 Q8N1Q1 2/20 0.39
▸ PTGS2 P35354 4/20 0.39
▸ MT-CO2 P00403 3/20 0.39

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
SCHEMBL1930420 0.90 L3MBTL1 (0.49) L3MBTL1BRD4BRD2BRD3ALDH1A1
SCHEMBL3862847 0.85 L3MBTL1 (0.53) L3MBTL1BRD4BRD2ALDH1A1PKM
SCHEMBL1929051 0.84 L3MBTL1 (0.51) L3MBTL1BRD4BRD2ALDH1A1PKM
SCHEMBL1930589 0.84 NR3C1 (0.46) L3MBTL1BRD4BRD2BRD3ALDH1A1
SCHEMBL1930375 0.83 ALDH1A1 (0.49) L3MBTL1BRD4ALDH1A1NPSR1KDM4E
SCHEMBL1928761 0.81 L3MBTL1 (0.57) L3MBTL1BRD4BRD2ALDH1A1NPSR1
SCHEMBL1930363 0.80 NPC1 (0.50) L3MBTL1ALDH1A1NPSR1HTTKDM4E
SCHEMBL1930641 0.80 L3MBTL1 (0.51) L3MBTL1ALDH1A1PKMNPSR1HTT
SCHEMBL1930307 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1PKMNPSR1HTT
SCHEMBL1930206 0.79 L3MBTL1 (0.48) L3MBTL1BRD4BRD2BRD3ALDH1A1

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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