SCHEMBL8525971

SCHEMBL8525971

CSc1cc(-n2cncn2)ccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
S1PR1 P21453 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
F9 P00740 2/20 0.35
SYK P43405 1/20 0.35
MMP12 P39900 1/20 0.35
CD38 P28907 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PPARD Q03181 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8490965 0.85 F9 (0.42) SMYD3S1PR1SMN1; SMN2HSP90AA1MAPT
SCHEMBL8524846 0.80 CTSS (0.40) SMYD3SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8167425 0.79 SMN1; SMN2 (0.42) PCSK9SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8176394 0.78 CYP1A2 (0.46) PCSK9SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL8491847 0.76 SMN1; SMN2 (0.36) PCSK9SMYD3S1PR1SMN1; SMN2HSP90AA1
SCHEMBL8491854 0.76 SMN1; SMN2 (0.36) PCSK9SMYD3S1PR1SMN1; SMN2HSP90AA1
SCHEMBL8176120 0.75 KDM4E (0.36) PCSK9SMYD3SMN1; SMN2HSP90AA1MAPT
SCHEMBL1825556 0.74 MAPT (0.33) SMYD3MAPTHTTGPR119SYK
SCHEMBL1822912 0.74 KDM4E (0.36) SMYD3SMN1; SMN2HSP90AA1MAPTHTT
SCHEMBL6748543 0.74 ERCC5 (0.39) SMN1; SMN2MAPTHTTMEN1KMT2A

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