SCHEMBL8177246

SCHEMBL8177246

CCOC(=O)c1nn(-c2ccc(I)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
▸ ADORA1 P30542 11/20 0.77
▸ MAPT P10636 12/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ KDM4E B2RXH2 4/20 0.74
▸ ALOX12 P18054 3/20 0.74
▸ CASP1 P29466 2/20 0.74
▸ ALOX15 P16050 2/20 0.74
▸ HSD17B10 Q99714 2/20 0.74
▸ APP P05067 6/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ APAF1 O14727 1/20 0.63
▸ CACNA1B Q00975 1/20 0.63
▸ APBA1 Q02410 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ CASP6 P55212 1/20 0.63

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
SCHEMBL8171837 0.92 MAPT (0.77) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL8165810 0.88 MAPT (0.71) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL1491879 0.88 ADORA1 (1.00) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL7883656 0.87 MAPT (0.80) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL7885074 0.86 MAPT (1.00) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL8166334 0.83 MAPT (0.94) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL1491896 0.82 MAPT (0.84) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL7886346 0.81 ADORA1 (0.81) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL14660061 0.81 MAPT (0.88) ADORA1MAPTALDH1A1KDM4EALOX12
SCHEMBL16379167 0.81 MAPT (1.00) ADORA1MAPTALDH1A1KDM4EALOX12

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 disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO disclosed
Send feedback