SCHEMBL22239676

SCHEMBL22239676

CC(C)(O)OCCCOc1cc(N)ncn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
NUDT1 P36639 1/20 0.31

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
SCHEMBL18654717 0.77 MCHR1 (0.37) NUDT1
SCHEMBL10187279 0.77 MCHR1 (0.41) ALOX5APFEN1CA2CHKANUDT1
SCHEMBL17778782 0.76 FEN1 (0.32) ALOX5APFEN1
SCHEMBL20172295 0.75 TSHR (0.41)
SCHEMBL7489421 0.74 THRB (0.38) ALOX5APFEN1CA2CHKA
SCHEMBL16291043 0.74 MAPT (0.38) ALOX5APFEN1CA2CHKA
SCHEMBL18654366 0.74 NUDT1 (0.44) NUDT1
SCHEMBL18654540 0.74 CDK2 (0.31) NUDT1
SCHEMBL11373823 0.73 PIK3CD (0.37) ALOX5APFEN1CA2CHKA
SCHEMBL17778688 0.72 KDM4E (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 EP disclosed