SCHEMBL8289481

SCHEMBL8289481

COc1ccc(OC)c(CC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.61
RXFP1 Q9HBX9 2/20 0.59
TP53 P04637 4/20 0.59
LMNA P02545 3/20 0.59
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 3/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
ALOX15 P16050 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RAB9A P51151 1/20 0.54
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51

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 0.86 MEN1 (0.75) MAPTRXFP1TP53LMNADUSP3
SCHEMBL8289502 0.85 KMT2A (0.75) MAPTRXFP1TP53MEN1KMT2A
SCHEMBL8289434 0.85 RXFP1 (0.75) MAPTRXFP1TP53DUSP3PTPN5
SCHEMBL29334017 0.78 MAPT (0.61) MAPTRXFP1TP53LMNAPOLB
SCHEMBL10143922 0.75 MAPT (1.00) MAPTRXFP1DUSP3PTPN5PTPN11
SCHEMBL8288668 0.75 MAPT (0.71) MAPTRXFP1LMNADUSP3PTPN5
SCHEMBL8289709 0.74 MAPT (0.69) MAPTRXFP1DUSP3PTPN5PTPN11
SCHEMBL8288667 0.73 MAPT (1.00) MAPTRXFP1TP53DUSP3PTPN5
SCHEMBL5453629 0.73 PDE4B (0.65) MAPTRXFP1TP53DUSP3PTPN5
SCHEMBL8289715 0.73 MAPT (0.67) MAPTRXFP1DUSP3PTPN5PTPN11

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