SCHEMBL5597499

SCHEMBL5597499

NCCc1[nH]c(=O)[nH]c(=O)c1CCN

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMP P19971 8/20 0.38
DHODH Q02127 11/20 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
Hydrochloric Acid SCHEMBL7380714 0.78 KDM4E (0.40)
SCHEMBL5054363 0.73 TYMP (0.36) TYMPDHODH
SCHEMBL29421078 0.64 DHODH (0.37) DHODH
SCHEMBL30132270 0.62 TYMP (0.52) TYMPDHODH
SCHEMBL6570517 0.62 TYMP (0.53) TYMP
SCHEMBL22579524 0.60 KDM4E (0.33) TYMPDHODH
SCHEMBL29360273 0.60 JAK2 (0.35) TYMP
SCHEMBL7131727 0.60 NPSR1 (0.43) TYMP
SCHEMBL15018449 0.60 GPR84 (0.39) TYMP
SCHEMBL14709896 0.56 TYMP (0.47) TYMP

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-1799221-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-06-27 EP disclosed
WO-2006044610-A1 METHOD OF PREVENTING AND TREATING AIRWAY REMODELING AND PULMONARY INFLAMMATION USING A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC (US) 2006-04-27 WO disclosed