SCHEMBL8914385

SCHEMBL8914385

Cc1c(SCCN2CCOCC2)cc[n+]([O-])c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HSP90AA1 P07900 1/20 0.39
PDE10A Q9Y233 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PRNP P04156 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MEN1 O00255 1/20 0.36
PSMD14 O00487 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8915575 0.86 ALOX15 (0.38) POLBSMN1; SMN2ALDH1A1KDM4ETP53
SCHEMBL8915212 0.71 KDM4E (0.43) POLBRAB9ANPC1SMN1; SMN2SIGMAR1
SCHEMBL8918377 0.71 SIGMAR1 (0.42) POLBRAB9ANPC1SMN1; SMN2SIGMAR1
SCHEMBL9213950 0.70 PDE10A (0.41) POLBRAB9ANPC1SMN1; SMN2SIGMAR1
SCHEMBL8687335 0.70 CA2 (0.37)
SCHEMBL11529719 0.69 POLB (0.78) POLBRAB9ANPC1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11529713 0.68 POLB (0.81) POLBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1929135 0.67 CYP2A13 (0.51) POLBRAB9ASMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL8917405 0.67 MAP2K7 (0.30)
SCHEMBL11539203 0.65 MEN1 (0.66) POLBRAB9ANPC1SMN1; SMN2SIGMAR1

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-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed