SCHEMBL900339

SCHEMBL900339

CCCCCc1csc2ncnc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 3/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
SELE P16581 1/20 0.36
VCAM1 P19320 1/20 0.36
DYRK3 O43781 2/20 0.33
MAP4K4 O95819 2/20 0.33
EGFR P00533 2/20 0.33
PIM1 P11309 2/20 0.33
CLK2 P49760 2/20 0.33
IRAK1 P51617 2/20 0.33
CSNK2A1 P68400 2/20 0.33
MAP4K2 Q12851 2/20 0.33

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
SCHEMBL3795260 0.82 MAPT (0.49) MAPTSMN1; SMN2HTTKMT2ANPSR1
SCHEMBL900963 0.82 KDR (0.44) DYRK3MAP4K4PIM1CLK2IRAK1
SCHEMBL900471 0.77 PAK1 (0.47) KMT2ANPSR1LMNAALDH1A1HPGD
SCHEMBL2186407 0.70 MAPT (0.48) MAPTSMN1; SMN2HTTKMT2ANPSR1
SCHEMBL30323242 0.70 MAPT (0.53) MAPTSMN1; SMN2HTTKMT2ANPSR1
SCHEMBL438061 0.70 MAPT (0.53) MAPTSMN1; SMN2HTTKMT2ANPSR1
SCHEMBL2185553 0.69 MAPT (0.56) MAPTSMN1; SMN2HTTKMT2ANPSR1
SCHEMBL3322337 0.69 TYMP (0.39) MAPTSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL868188 0.68 MAPT (0.60) MAPTSMN1; SMN2HTTKMT2ANPSR1
SCHEMBL4453790 0.68 TYMP (0.41) MAPTSMN1; SMN2KMT2ALMNAALDH1A1

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-2012044993-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING OR PREVENTING NEURODEGENERATIVE DISEASES OR DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-05 WO disclosed