SCHEMBL8525742

SCHEMBL8525742

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)cc1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 2/20 0.35
GLA P06280 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR2 O43614 1/20 0.34
TACR1 P25103 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL8488306 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HSP90AA1MAPTHTTNPC1
SCHEMBL8524453 0.88 SMN1; SMN2 (0.38) SMN1; SMN2HSP90AA1MAPTHTTNPC1
SCHEMBL8524139 0.87 SMN1; SMN2 (0.41) SMN1; SMN2HSP90AA1MAPTHTTNPC1
SCHEMBL8487558 0.86 HSP90AA1 (0.41) SMN1; SMN2HSP90AA1MAPTHTTMEN1
SCHEMBL8487594 0.86 SMN1; SMN2 (0.40) SMN1; SMN2HSP90AA1MAPTHTTNPC1
SCHEMBL8524135 0.84 SMN1; SMN2 (0.39) SMN1; SMN2HSP90AA1MAPTHTTNPC1
SCHEMBL8525429 0.83 NR1H4 (0.40) SMN1; SMN2HSP90AA1MAPTHTTMEN1
SCHEMBL8491672 0.83 HTT (0.42) SMN1; SMN2MAPTHTTALDH1A1PDE3B
SCHEMBL8523938 0.82 HCRTR2 (0.41) SMN1; SMN2HSP90AA1MAPTHTTHCRTR2
SCHEMBL8490604 0.81 GABRG2 (0.36) SMN1; SMN2HSP90AA1MAPTHTTRAB9A

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-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