SCHEMBL4995687

SCHEMBL4995687

CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 5/20 0.80
TARS1 P26639 2/20 0.65
MARS1 P56192 1/20 0.59
LARS1 Q9P2J5 1/20 0.59

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
SCHEMBL28937745 0.86 IARS1 (1.00) IARS1TARS1LARS1
SCHEMBL31533322 0.83 DOT1L (0.71) MARS1LARS1
SCHEMBL7102573 0.80 DPP4 (0.69)
SCHEMBL20711309 0.79 TRPM2 (0.66)
SCHEMBL21067691 0.79 TARS1 (1.00) IARS1TARS1MARS1LARS1
SCHEMBL20711315 0.79 TRPM2 (0.77)
SCHEMBL4316150 0.79 TARS1 (1.00) IARS1TARS1MARS1LARS1
SCHEMBL2292037 0.78 TRPM2 (0.71)
SCHEMBL18314801 0.78 HINT1 (0.62)
SCHEMBL20711220 0.77 TRPM2 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed