SCHEMBL2914245

SCHEMBL2914245

COc1cc2nc(N3CCOCC3)nc(N3CCN(C(=O)O)CC3)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
WHR1 P49842 3/20 0.58
PIK3CD O00329 1/20 0.54
PIK3R1 P27986 1/20 0.54
PIK3CA P42336 1/20 0.54
PIK3CB P42338 1/20 0.54
PIK3CG P48736 1/20 0.54
PIK3R5 Q8WYR1 1/20 0.54
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 4/20 0.53
GLA P06280 4/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
SLC22A1 O15245 1/20 0.53
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL2923197 0.87 TLR9 (0.66) SMN1; SMN2WHR1PIK3CDPIK3R1PIK3CA
SCHEMBL27339271 0.84 SMN1; SMN2 (0.67) SMN1; SMN2WHR1PIK3CDPIK3R1PIK3CA
SCHEMBL2923613 0.82 PDGFRB (0.70)
SCHEMBL22144610 0.80 WHR1 (0.78) SMN1; SMN2WHR1PIK3CDPIK3R1PIK3CA
SCHEMBL22144613 0.80 WHR1 (0.78) SMN1; SMN2WHR1PIK3CDPIK3R1PIK3CA
SCHEMBL12913438 0.78 EHMT2 (0.58) SMN1; SMN2KDM4EALDH1A1HPGDACHE
SCHEMBL17122609 0.77 ALDH1A1 (0.78) SMN1; SMN2WHR1KDM4EALDH1A1HPGD
SCHEMBL13893912 0.76 EHMT2 (0.60) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL13329880 0.76 SMN1; SMN2 (0.72) SMN1; SMN2WHR1KDM4EALDH1A1EHMT2
SCHEMBL13329878 0.76 SMN1; SMN2 (0.72) SMN1; SMN2WHR1KDM4EALDH1A1EHMT2

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-0882717-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed