SCHEMBL8302738

SCHEMBL8302738

C=C(/C(C#N)=C/c1ccc(C(=O)O)cc1)N(c1ccc2nc(S)sc2c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL1379573 0.91 APP (0.39) APPTDP1KMT2AMEN1MAPT
SCHEMBL1379571 0.91 APP (0.39) APPTDP1KMT2AMEN1MAPT
SCHEMBL5144162 0.83 APP (0.39) APPTDP1KMT2AMEN1MAPT
SCHEMBL1379587 0.82 APP (0.41) APPTDP1KMT2AMEN1MAPT
SCHEMBL1379586 0.82 APP (0.41) APPTDP1KMT2AMEN1MAPT
SCHEMBL1376041 0.82 MAPT (0.47) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1376039 0.82 MAPT (0.47) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1376394 0.81 APP (0.42) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1375570 0.81 APP (0.40) APPKMT2AMEN1MAPTALDH1A1
SCHEMBL1376393 0.81 APP (0.42) APPKMT2AMEN1MAPTALDH1A1

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-2005011812-A1 CYANOAMIDE COMPOUNDS USEFUL AS MALONYL-COA DECARBOXYLASE INHIBITHORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-02-10 WO disclosed