SCHEMBL8409771

SCHEMBL8409771

Cc1c(SCCCCSCCn2c([N+](=O)[O-])cnc2C)ccnc1CCl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 11/20 0.46
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
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRM1 P11229 1/20 0.40
CA12 O43570 2/20 0.39
GLA P06280 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
Hydrochloric Acid SCHEMBL7672979 0.97 TYMS (0.45) TYMSLMNAALDH1A1THRBTSHR
SCHEMBL8409818 0.90 LMNA (0.49) TYMSLMNAALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL7672774 0.88 LMNA (0.48) TYMSLMNAALDH1A1THRBTSHR
Hydrochloric Acid SCHEMBL7013906 0.84 TYMS (0.42) TYMSLMNAALDH1A1THRBTSHR
SCHEMBL6871145 0.82 TYMS (0.40) TYMSLMNAALDH1A1THRBTSHR
SCHEMBL6865756 0.81 TYMS (0.41) TYMSLMNAALDH1A1THRBTSHR
SCHEMBL8410247 0.80 NPC1 (0.43) TYMSLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7676058 0.80 KDR (0.42) TYMSLMNAALDH1A1THRBTSHR
SCHEMBL6862014 0.80 TYMS (0.40) TYMSLMNAALDH1A1THRBTSHR
SCHEMBL7006898 0.79 LMNA (0.44) TYMSLMNAALDH1A1THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
EP-0764161-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed