SCHEMBL14824945

SCHEMBL14824945

N=C1N=CNC(=O)/C1=C/NC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH4 P08319 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ADH7 P40394 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
SCHEMBL14824981 0.70 ADH1B (0.31) ADH1BADH1CADH1AADH4
SCHEMBL11887934 0.63 EPHX2 (0.48) ALDH1A1SMN1; SMN2NPSR1
Cyclohexylformamide SCHEMBL26146 0.53
SCHEMBL2112448 0.53 ADH1B (1.00) ADH1BADH1CADH1AADH4ALDH1A1
SCHEMBL245391 0.53 ADH1B (1.00) ADH1BADH1CADH1AADH4ALDH1A1
SCHEMBL22988657 0.53 ADH1B (1.00) ADH1BADH1CADH1AADH4ALDH1A1
SCHEMBL645299 0.53 ADH1B (1.00) ADH1BADH1CADH1AADH4ALDH1A1
SCHEMBL21693889 0.53
Cyclohexylformamide SCHEMBL28496813 0.53 ADH1B (1.00) ADH1BADH1CADH1AADH4ALDH1A1
SCHEMBL2109469 0.53 ADH1B (1.00) ADH1BADH1CADH1AADH4ALDH1A1

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-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed