SCHEMBL4551765

SCHEMBL4551765

O=C(OS(=O)(=O)O)C(CSc1ccccn1)N1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 7/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 4/20 0.37
BLM P54132 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.35

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
SCHEMBL616908 0.82 ALDH1A1 (0.54) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL1870930 0.77 HPGD (0.39) LMNAALDH1A1MAPTHPGDHSD17B10
SCHEMBL28957076 0.75 LMNA (0.52) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL21768790 0.74 ALDH1A1 (0.51) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL16279734 0.73 HCRTR1 (0.33) LMNAKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL16279731 0.73 RAB9A (0.38) LMNAALDH1A1KMT2AMEN1RAB9A
SCHEMBL2002797 0.72 ALDH1A1 (0.49) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL29141153 0.72 ELANE (0.32) ALDH1A1PKM
SCHEMBL44725 0.71 ALDH1A1 (0.50) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL28279888 0.71 ALDH1A1 (0.40) LMNAALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285844-A1 NON-TOXIC MUTANTS OF PATHOGENIC GRAM-NEGATIVE BACTERIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-11-19 US disclosed
EP-0876150-B2 NON-TOXIC MUTANTS OF PATHOGENIC GRAM-NEGATIVE BACTERIA UNIV IOWA RES FOUND (US) 2009-04-29 EP disclosed
US-7510717-B2 Non-toxic mutants of pathogenic gram-negative bacteria UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2009-03-31 US disclosed
US-20070048331-A1 Non-toxic mutants of pathogenic gram-negative bacteria UNIV. OF IOWA RESEARCH FOUNDATION 2007-03-01 US disclosed
US-7005129-B1 Non-toxic mutants of pathogenic gram-negative bacteria UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2006-02-28 US disclosed
EP-0876150-B1 NON-TOXIC MUTANTS OF PATHOGENIC GRAM-NEGATIVE BACTERIA UNIV IOWA RES FOUND (US) 2005-10-26 EP disclosed
EP-0876150-A1 NON-TOXIC MUTANTS OF PATHOGENIC GRAM-NEGATIVE BACTERIA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-11-11 EP disclosed
WO-1997019688-A9 NON-TOXIC MUTANTS OF PATHOGENIC GRAM-NEGATIVE BACTERIA 1997-09-18 WO disclosed
WO-1997019688-A1 NON-TOXIC MUTANTS OF PATHOGENIC GRAM-NEGATIVE BACTERIA UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1997-06-05 WO disclosed