SCHEMBL8488306

SCHEMBL8488306

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)cc1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
HSP90AA1 P07900 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GRM2 Q14416 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE4D Q08499 2/20 0.33
F9 P00740 2/20 0.32
HCRTR2 O43614 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL8524453 0.89 SMN1; SMN2 (0.38) SMN1; SMN2HSP90AA1MAPTHTTKDM4E
SCHEMBL8524139 0.88 SMN1; SMN2 (0.41) SMN1; SMN2HSP90AA1MAPTHTTKDM4E
SCHEMBL8523977 0.88 NPC1 (0.36) SMN1; SMN2HSP90AA1KDM4ENPC1ALDH1A1
SCHEMBL8487558 0.88 HSP90AA1 (0.41) SMN1; SMN2HSP90AA1MAPTHTTMEN1
SCHEMBL8525742 0.88 SMN1; SMN2 (0.37) SMN1; SMN2HSP90AA1MAPTHTTKDM4E
SCHEMBL8487594 0.87 SMN1; SMN2 (0.40) SMN1; SMN2HSP90AA1MAPTHTTKDM4E
SCHEMBL8491383 0.86 GABRG2 (0.33) SMN1; SMN2HSP90AA1HTTKDM4ENPC1
SCHEMBL8525422 0.86 HCRTR2 (0.35) SMN1; SMN2HSP90AA1MAPTHTTKDM4E
SCHEMBL8490079 0.86 KDM4E (0.38) SMN1; SMN2HSP90AA1MAPTHTTKDM4E
SCHEMBL8524135 0.85 SMN1; SMN2 (0.39) SMN1; SMN2HSP90AA1MAPTHTTKDM4E

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
WO-1999005114-A2 1H-4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed