SCHEMBL22904151

SCHEMBL22904151

CCOC(=O)C(C#N)c1cccc(Oc2ccccc2C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 2/20 0.42
BRAF P15056 1/20 0.39
AR P10275 2/20 0.38
MAPT P10636 3/20 0.37
MAPK1 P28482 1/20 0.37
TBXA2R P21731 3/20 0.37
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PIN1 Q13526 1/20 0.36
PTGS2 P35354 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
PPARG P37231 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
SCHEMBL22904598 0.88 MEN1 (0.45) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL22904394 0.88 KMT2A (0.45) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL11124907 0.86 MEN1 (0.45) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL22904531 0.82 KMT2A (0.42) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL4579109 0.81 GAA (0.58) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL22904600 0.81 VEGFA (0.44) MEN1KMT2AGAASMN1; SMN2MAPT
SCHEMBL1366941 0.80 KMT2A (0.48) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL30708366 0.80 KMT2A (0.48) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL22904512 0.80 SMN1; SMN2 (0.48) MEN1KMT2AGAASMN1; SMN2TDP1
SCHEMBL6137068 0.79 SMN1; SMN2 (0.56) MEN1KMT2AGAASMN1; SMN2TDP1

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-2021011631-A1 FUSED-GLUTARIMIDE CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed