SCHEMBL7006898

SCHEMBL7006898

Cc1c(SCCCn2c([N+](=O)[O-])cnc2C)ccnc1CSc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TYMS P04818 9/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 3/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8141944 0.88 TYMS (0.43) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL8005983 0.83 NPC1 (0.45) LMNAALDH1A1THRBTSHRMAPK1
Hydrochloric Acid SCHEMBL7013906 0.80 TYMS (0.42) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL8089394 0.79 CYP1A2 (0.32) ALDH1A1GAA
SCHEMBL8409771 0.79 TYMS (0.46) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL8409818 0.79 LMNA (0.49) LMNAALDH1A1THRBTSHRMAPK1
Hydrochloric Acid SCHEMBL7672774 0.78 LMNA (0.48) LMNAALDH1A1THRBTSHRMAPK1
Hydrochloric Acid SCHEMBL7672979 0.78 TYMS (0.45) LMNAALDH1A1THRBTSHRMAPK1
SCHEMBL8410247 0.77 NPC1 (0.43) LMNAALDH1A1MAPK1TYMSSMN1; SMN2
SCHEMBL8413272 0.77 NPC1 (0.43) LMNAALDH1A1MAPK1TYMSSMN1; SMN2

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-0772593-B1 THIOPYRIDYL COMPOUNDS FOR CONTROLLING HELICOBACTER BACTERIA ALTANA PHARMA AG (DE) 2003-05-02 EP disclosed
US-6162809-A Pyridylthio compounds for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-19 US disclosed