SCHEMBL6865756

SCHEMBL6865756

Cc1c(SCCCSCCn2c([N+](=O)[O-])cnc2C)ccnc1CNc1ncncc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.41
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 4/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
ERBB2 P04626 2/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL7705605 0.88 EGFR (0.40) TYMSALDH1A1LMNATHRBTSHR
SCHEMBL6862014 0.85 TYMS (0.40) TYMSALDH1A1LMNATHRBTSHR
SCHEMBL6868114 0.85 EGFR (0.40) TYMSALDH1A1LMNATHRBTSHR
SCHEMBL6871145 0.84 TYMS (0.40) TYMSALDH1A1LMNATHRBTSHR
Hydrochloric Acid SCHEMBL7672979 0.82 TYMS (0.45) TYMSALDH1A1LMNATHRBTSHR
SCHEMBL8409771 0.81 TYMS (0.46) TYMSALDH1A1LMNATHRBTSHR
Hydrochloric Acid SCHEMBL7672774 0.80 LMNA (0.48) TYMSALDH1A1LMNATHRBTSHR
SCHEMBL8409818 0.79 LMNA (0.49) TYMSALDH1A1LMNATHRBTSHR
SCHEMBL7670923 0.79 TYMS (0.40) TYMSALDH1A1LMNATHRBTSHR
Hydrochloric Acid SCHEMBL7013906 0.78 TYMS (0.42) TYMSALDH1A1LMNATHRBTSHR

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