SCHEMBL8171837

SCHEMBL8171837

CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(N)scc12.CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)sc(Br)c12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.77
▸ APP P05067 6/20 0.77
▸ CASP1 P29466 2/20 0.77
▸ ADORA1 P30542 11/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ KDM4E B2RXH2 4/20 0.74
▸ ALOX12 P18054 3/20 0.74
▸ ALOX15 P16050 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ MAPK1 P28482 1/20 0.63
▸ CASP6 P55212 1/20 0.63
▸ APAF1 O14727 1/20 0.61
▸ CACNA1B Q00975 1/20 0.61
▸ APBA1 Q02410 1/20 0.61

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
SCHEMBL8177246 0.92 ADORA1 (0.77) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL1491854 0.89 MAPT (0.67) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL8165810 0.88 MAPT (0.71) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL1491884 0.88 MAPT (1.00) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL7883656 0.87 MAPT (0.80) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL7885074 0.86 MAPT (1.00) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL8166334 0.83 MAPT (0.94) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL1491896 0.82 MAPT (0.84) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL14660061 0.81 MAPT (0.88) MAPTAPPCASP1ADORA1ALDH1A1
SCHEMBL16379167 0.81 MAPT (1.00) MAPTAPPCASP1ADORA1ALDH1A1

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
EP-1017697-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-07-12 — — EP claimed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO claimed
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