SCHEMBL8288667

SCHEMBL8288667

CC1CCc2c(sc(NC(=O)CCCOc3ccccc3)c2C(N)=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
RXFP1 Q9HBX9 1/20 0.84
TP53 P04637 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.59
DUSP3 P51452 1/20 0.59
PTPN5 P54829 1/20 0.59
PTPN11 Q06124 1/20 0.59
POLB P06746 1/20 0.57
AIP O00170 1/20 0.57
SGTA O43765 1/20 0.57
TOMM70 O94826 1/20 0.57
STIP1 P31948 1/20 0.57
PPP5C P53041 1/20 0.57
DNAJC7 Q99615 1/20 0.57
STUB1 Q9UNE7 1/20 0.57
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL8290608 0.90 MAPT (1.00) MAPTRXFP1TP53DUSP3PTPN5
SCHEMBL3914076 0.84 MAPT (0.73) MAPTRXFP1TP53DUSP3PTPN5
SCHEMBL5455859 0.84 MAPT (0.81) MAPTRXFP1TP53SMN1; SMN2POLB
SCHEMBL13574989 0.84 MAPT (0.72) MAPTRXFP1SMN1; SMN2DUSP3PTPN5
SCHEMBL8288668 0.83 MAPT (0.71) MAPTRXFP1SMN1; SMN2DUSP3PTPN5
SCHEMBL5455162 0.82 MAPT (0.72) MAPTRXFP1TP53SMN1; SMN2DUSP3
SCHEMBL8289514 0.82 AIP (0.69) MAPTRXFP1SMN1; SMN2DUSP3PTPN5
SCHEMBL8289822 0.82 MAPT (0.68) MAPTRXFP1DUSP3PTPN5PTPN11
SCHEMBL8289505 0.81 AIP (0.68) MAPTRXFP1SMN1; SMN2DUSP3PTPN5
SCHEMBL2182372 0.79 TP53 (0.80) MAPTTP53SMN1; SMN2DUSP3PTPN5

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