SCHEMBL22813769

SCHEMBL22813769

CCOC(=O)Cn1cc(/C=N/O)c2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KRAS P01116 2/20 0.42
▸ USP2 O75604 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
SCHEMBL22798572 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL22798571 1.00 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL22798889 0.87 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL22798992 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL22813793 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL22798993 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL26879516 0.79 LMNA (0.67) ALDH1A1L3MBTL1MAPTLMNATSHR
SCHEMBL28646673 0.76 LMNA (0.54) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL411401 0.73 TSPO (0.58) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL19233819 0.73 ALDH1A1 (0.70) ALDH1A1MEN1KMT2AL3MBTL1MAPT

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
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 — — EP disclosed
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