SCHEMBL6869916

SCHEMBL6869916

Cc1nc(C)c(Cl)c(NCc2nccc(OCCCSCc3ccncc3)c2C)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 1/20 0.31
LMNA P02545 1/20 0.31
ALPG P10696 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7044854 0.97 HPGD (0.32) HPGDSMN1; SMN2PDE10ALMNAALPG
SCHEMBL6861630 0.95 PDE10A (0.32) HPGDSMN1; SMN2PDE10ALMNAALPG
SCHEMBL6871021 0.92 PDE10A (0.30) PDE10ALMNAALPGHTT
SCHEMBL6865786 0.87 NMT2 (0.36) HPGDPDE10A
SCHEMBL6866405 0.85 PDE10A (0.31) PDE10ALMNAALPGHTT
SCHEMBL6865553 0.85 PDE10A (0.31) PDE10ALMNAALPGHTT
SCHEMBL6869856 0.83
SCHEMBL6861471 0.83 ALDH1A1 (0.32) HPGDPDE10ALMNA
SCHEMBL6866232 0.83 KCNH2 (0.38) PDE10ALMNAHTT
SCHEMBL6861534 0.83 PDE10A (0.30) PDE10ALMNAALPGHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091957-B1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2004-12-15 EP disclosed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US disclosed