SCHEMBL8900253

SCHEMBL8900253

N#CCC1CCC(C(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
MCL1 Q07820 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX5 P09917 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP3A4 P08684 1/20 0.33
JAK2 O60674 3/20 0.32
TYK2 P29597 3/20 0.32
JAK3 P52333 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RECQL P46063 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
CYP2D6 P10635 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
SCHEMBL14737926 0.88 PLG (0.35) SMN1; SMN2PLGPLATLMNAMCL1
SCHEMBL14737925 0.88 PLG (0.35) SMN1; SMN2PLGPLATLMNAMCL1
SCHEMBL20501699 0.81 PLG (0.54) PLGPLATLMNAKMT2AALDH1A1
SCHEMBL20501700 0.81 PLG (0.54) PLGPLATLMNAKMT2AALDH1A1
SCHEMBL24228415 0.79 KMT2A (0.34) PLGPLATLMNAKMT2AALDH1A1
SCHEMBL365047 0.76
SCHEMBL24197645 0.76 JAK2 (0.33) KMT2AALDH1A1HSD11B1CYP3A4JAK2
SCHEMBL13907209 0.76 JAK2 (0.33) KMT2AALDH1A1HSD11B1CYP3A4JAK2
SCHEMBL2162286 0.76 JAK2 (0.33) KMT2AALDH1A1HSD11B1CYP3A4JAK2
Bromide SCHEMBL30923588 0.74

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
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed