SCHEMBL29357232

SCHEMBL29357232

CC(C)(C)OC(=O)N1CCc2[nH]c3cccc(F)c3c2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
F12 P00748 3/20 0.47
CFTR P13569 1/20 0.46
LMNA P02545 2/20 0.46
BAZ2B Q9UIF8 2/20 0.46
MAPT P10636 1/20 0.46
PABPC1 P11940 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 1/20 0.42
CDK9 P50750 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MAPK1 P28482 1/20 0.41
NR1H2 P55055 1/20 0.41
PDK4 Q16654 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41

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
SCHEMBL21114784 1.00 CTSK (0.48) CTSKPARP1TNKS2PARP2F12
SCHEMBL21588265 0.91 PARP1 (0.49) PARP1TNKS2PARP2F12ESR2
SCHEMBL29292243 0.90 DDB1 (0.41) CTSKPARP1TNKS2PARP2F12
SCHEMBL21630707 0.88 CFTR (0.56) PARP1TNKS2PARP2F12CFTR
SCHEMBL6482451 0.85 PARP1 (0.44) CTSKPARP1TNKS2PARP2F12
SCHEMBL8103406 0.83 F12 (0.44) PARP1TNKS2PARP2F12CFTR
SCHEMBL21154244 0.82 CFTR (0.56) PARP1TNKS2PARP2F12CFTR
SCHEMBL21121029 0.82 CTSK (0.53) CTSKCFTRLMNABAZ2BMAPT
SCHEMBL29357331 0.81 MAPT (0.69) CFTRLMNABAZ2BMAPTPABPC1
SCHEMBL2241936 0.81 MAPT (0.69) CFTRLMNABAZ2BMAPTPABPC1

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-3941477-A1 NOVEL COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES AC Immune SA (CH) 2022-01-26 EP disclosed