SCHEMBL7883656

SCHEMBL7883656

CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)sc(Br)c12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.80
▸ APP P05067 6/20 0.80
▸ ALDH1A1 P00352 8/20 0.66
▸ KDM4E B2RXH2 7/20 0.66
▸ ADORA1 P30542 7/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ ALOX12 P18054 2/20 0.66
▸ CASP1 P29466 2/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ HPGD P15428 1/20 0.58
▸ ADORA2A P29274 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ PDE4B Q07343 1/20 0.52
▸ PDE4C Q08493 1/20 0.52
▸ PDE4D Q08499 1/20 0.52

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
SCHEMBL1491854 0.90 MAPT (0.67) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL8177246 0.87 ADORA1 (0.77) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL8171837 0.87 MAPT (0.77) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL8165810 0.85 MAPT (0.71) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL7885074 0.80 MAPT (1.00) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL1491841 0.79 MAPT (0.70) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL8179156 0.79 MAPT (0.54) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL8166334 0.77 MAPT (0.94) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL16487362 0.74 ADORA1 (0.62) MAPTAPPALDH1A1KDM4EADORA1
SCHEMBL1491896 0.74 MAPT (0.84) MAPTAPPALDH1A1KDM4EADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US claimed
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US disclosed
EP-1017697-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-07-12 — — EP disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO disclosed
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