SCHEMBL900471

SCHEMBL900471

CCCCCSc1ncnc2scc(CCCCC)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.47
LMNA P02545 2/20 0.44
CSNK2A2 P19784 9/20 0.40
CSNK2B P67870 9/20 0.40
CSNK2A1 P68400 9/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PRNP P04156 2/20 0.36
RXFP1 Q9HBX9 2/20 0.36
RECQL P46063 1/20 0.35
NOTUM Q6P988 1/20 0.34
MAPK1 P28482 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL900339 0.77 MAPT (0.43) LMNACSNK2A1ALDH1A1HPGDNPSR1
SCHEMBL900963 0.77 KDR (0.44) CSNK2A1L3MBTL1
SCHEMBL5330310 0.68 PAK1 (0.57) PAK1LMNAALDH1A1HPGDL3MBTL1
SCHEMBL1725584 0.64 PAK1 (1.00) PAK1LMNA
SCHEMBL595121 0.64 GPR35 (0.43) LMNAALDH1A1MEN1KMT2A
SCHEMBL9465617 0.63 PAK1 (0.97) PAK1LMNA
SCHEMBL8642694 0.63 PAK1 (0.97) PAK1LMNA
SCHEMBL10927540 0.63 PAK1 (0.97) PAK1LMNA
SCHEMBL1593300 0.61 GPR35 (0.50) LMNAALDH1A1MEN1KMT2A
SCHEMBL1725582 0.60 PAK1 (0.62) PAK1LMNAALDH1A1HPGD

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