SCHEMBL6866412

SCHEMBL6866412

Cc1nc(C)c(Cl)c(NCc2nccc(OCCCSCCn3c([N+](=O)[O-])cnc3C)c2C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
EGFR P00533 6/20 0.37
ERBB2 P04626 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GLA P06280 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6871110 0.98 TYMS (0.38) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6868584 0.96 TYMS (0.39) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6869711 0.93 TYMS (0.37) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6871145 0.88 TYMS (0.40) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6862014 0.88 TYMS (0.40) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL7705605 0.85 EGFR (0.40) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6868515 0.84 TYMS (0.38) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6869123 0.82 LMNA (0.40) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6868114 0.81 EGFR (0.40) TYMSLMNAALDH1A1GAAEGFR
SCHEMBL6884066 0.80 EGFR (0.43) TYMSLMNAALDH1A1GAAEGFR

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 8 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 claimed
US-6395732-B1 BACTERICIDES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2002-05-28 US claimed
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 claimed
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 claimed
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