SCHEMBL6867667

SCHEMBL6867667

Cc1nc(C)c(Cl)c(NCc2nccc(SCCOCCSCc3ccccn3)c2C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.35
PDE10A Q9Y233 6/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
METAP1 P53582 3/20 0.32
METAP2 P50579 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CHRM4 P08173 1/20 0.30

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
SCHEMBL6866246 0.91 LMNA (0.37) LMNATSHRHTTKCNH2PDE10A
SCHEMBL6861534 0.86 PDE10A (0.30) LMNAHTTPDE10A
SCHEMBL6871715 0.85
SCHEMBL6866284 0.85 KDM4E (0.35) TSHRPDE10AMETAP1METAP2KDM4E
SCHEMBL6861533 0.85
SCHEMBL6861845 0.84
SCHEMBL6866232 0.83 KCNH2 (0.38) LMNATSHRHTTKCNH2PDE10A
SCHEMBL7896052 0.81 POLB (0.31) METAP1
Hydrochloric Acid SCHEMBL6869111 0.80 POLB (0.31)
SCHEMBL6865777 0.78 POLB (0.38) LMNATSHRHTTMEN1KMT2A

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 4 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
EP-1091957-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-04-18 EP disclosed
WO-1999061439-A1 PYRIMIDIN-AMINOMETHYL-PYRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed