SCHEMBL8916044

SCHEMBL8916044

Cc1c(SCCN2CCOCC2)ccnc1CSc1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
PDE10A Q9Y233 1/20 0.43
RECQL P46063 1/20 0.43
SOAT1 P35610 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
LTA4H P09960 1/20 0.43

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
SCHEMBL8915606 0.79 RAB9A (0.69) SMN1; SMN2ALDH1A1HSD17B10HPGDALOX15
SCHEMBL9213950 0.78 PDE10A (0.41) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL8914486 0.77 KDM4E (0.49) SMN1; SMN2ALDH1A1HSD17B10MAPK1LMNA
SCHEMBL5109272 0.75 CYP3A4 (0.52) ALDH1A1MAPTTP53
SCHEMBL8918377 0.75 SIGMAR1 (0.42) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL8915212 0.75 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPK1LMNAKDM4E
SCHEMBL8914183 0.74 GAA (0.50) ALDH1A1KDM4EHPGDTSHRGAA
SCHEMBL8914024 0.74 L3MBTL1 (0.45) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL9052359 0.74 GRIN2B (0.43) SMN1; SMN2ALDH1A1HSD17B10MAPK1LMNA
SCHEMBL8916879 0.74 RAB9A (0.60) SMN1; SMN2ALDH1A1HSD17B10LMNAHPGD

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