SCHEMBL8487558

SCHEMBL8487558

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2cncn2)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F9 P00740 5/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL8524139 0.92 SMN1; SMN2 (0.41) HSP90AA1MAPTHTTSMN1; SMN2F9
SCHEMBL8487594 0.91 SMN1; SMN2 (0.40) HSP90AA1MAPTHTTSMN1; SMN2F9
SCHEMBL8524135 0.89 SMN1; SMN2 (0.39) HSP90AA1MAPTHTTSMN1; SMN2F9
SCHEMBL8525429 0.88 NR1H4 (0.40) HSP90AA1MAPTHTTSMN1; SMN2F9
SCHEMBL8524453 0.88 SMN1; SMN2 (0.38) HSP90AA1MAPTHTTSMN1; SMN2F9
SCHEMBL8488306 0.88 SMN1; SMN2 (0.38) HSP90AA1MAPTHTTSMN1; SMN2F9
SCHEMBL8525742 0.86 SMN1; SMN2 (0.37) HSP90AA1MAPTHTTSMN1; SMN2MEN1
SCHEMBL8490794 0.86 AVPR2 (0.39) SMN1; SMN2F9NR1H4
SCHEMBL8490972 0.86 KDM4E (0.38) MAPTF9MEN1KMT2ANR1H4
SCHEMBL8525290 0.86 HCRTR2 (0.43) HSP90AA1NR1H4NOTUM

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