SCHEMBL8289434

SCHEMBL8289434

COc1cccc(CC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.75
▸ MAPT P10636 8/20 0.64
▸ DUSP3 P51452 1/20 0.59
▸ PTPN5 P54829 1/20 0.59
▸ PTPN11 Q06124 1/20 0.59
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ MAPK8 P45983 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL8290414 0.87 MEN1 (0.75) RXFP1MAPTDUSP3PTPN5PTPN11
SCHEMBL8289500 0.86 RXFP1 (1.00) RXFP1MAPTMEN1KMT2ATP53
SCHEMBL8288681 0.85 RXFP1 (0.98) RXFP1MAPTMEN1KMT2ATP53
SCHEMBL8289481 0.85 MAPT (0.61) RXFP1MAPTDUSP3PTPN5PTPN11
SCHEMBL29334017 0.80 MAPT (0.61) RXFP1MAPTTP53KDM4EALDH1A1
SCHEMBL3914076 0.79 MAPT (0.73) RXFP1MAPTDUSP3PTPN5PTPN11
SCHEMBL8290608 0.78 MAPT (1.00) RXFP1MAPTDUSP3PTPN5PTPN11
SCHEMBL8288667 0.78 MAPT (1.00) RXFP1MAPTDUSP3PTPN5PTPN11
SCHEMBL5453629 0.78 PDE4B (0.65) RXFP1MAPTDUSP3PTPN5PTPN11
SCHEMBL5455162 0.77 MAPT (0.72) RXFP1MAPTDUSP3PTPN5PTPN11

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
WO-2005033102-A2 THIOPHENE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF AMPHORA DISCOVERY CORPORATION (US) 2005-04-14 — — WO disclosed
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