SCHEMBL22609367

SCHEMBL22609367

CC(C)(C)[Si](C)(C)O[C@@H](CCO)CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
AKT1 P31749 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACHE P22303 1/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 0.32
RIPK1 Q13546 2/20 0.31
CNR2 P34972 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL21069311 1.00 POLB (0.35) POLBALDH1A1MAPK1GAAMAPT
SCHEMBL21070171 0.83 CASP1 (0.38) POLBMEN1KMT2AHTTAKT1
SCHEMBL20436626 0.82 TRPA1 (0.38) MAPTTSHR
SCHEMBL5855412 0.81 TDP1 (0.39) POLBGAAMAPTTSHR
SCHEMBL5855399 0.81 TDP1 (0.39) POLBGAAMAPTTSHR
SCHEMBL21069376 0.78 ALDH1A1 (0.41) POLBALDH1A1MAPK1MAPTTSHR
SCHEMBL16414460 0.73 MMP12 (0.38) POLBGAAMAPTTSHR
SCHEMBL16414506 0.73 MMP12 (0.38) POLBGAAMAPTTSHR
SCHEMBL16414459 0.73 MMP12 (0.38) POLBGAAMAPTTSHR
SCHEMBL25439640 0.73 POLB (0.51) POLBALDH1A1MAPK1GAAMAPT

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-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed