SCHEMBL16915037

SCHEMBL16915037

Cc1cn(OC(=O)[C@@H](N)CCO)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 3/20 0.41
▸ TK1 P04183 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ GRIA1 P42261 4/20 0.36
▸ GRIA2 P42262 4/20 0.36
▸ GRIA4 P48058 4/20 0.36
▸ GRIK5 Q16478 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GRIA3 P42263 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
SCHEMBL8412383 0.82 TYMP (0.43) TYMPTK1MAPK1
SCHEMBL8910349 0.75 MAPK1 (0.41) TYMPTK1MAPK1
SCHEMBL2635616 0.74 MAPK1 (0.42) TYMPTK1MAPK1
SCHEMBL13724687 0.73 MAPK1 (0.43) TYMPTK1MAPK1KMT2A
SCHEMBL23453029 0.69 TYMP (0.59) TYMPTK1MAPK1
SCHEMBL22440027 0.69 MAPK1 (0.39) TYMPTK1MAPK1
SCHEMBL8631021 0.68 GRIA1 (0.69) TYMPTK1MAPK1GRIA1GRIA2
SCHEMBL13957600 0.68 GRIA1 (0.69) TYMPTK1MAPK1GRIA1GRIA2
SCHEMBL16914966 0.68 MAPK1 (0.38) TYMPTK1MAPK1
Hydrochloric Acid SCHEMBL22194186 0.67 TK1 (0.43) TYMPTK1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094968-A1 METABOLIC SCREENING FOR GESTATIONAL DIABETES The Regents of The University of California (US) 2016-11-23 — — EP disclosed
WO-2015109116-A1 METABOLIC SCREENING FOR GESTATIONAL DIABETES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-07-23 — — WO disclosed
Send feedback