SCHEMBL24101416

SCHEMBL24101416

CCOC(=O)Cc1csc(NC(=O)Cc2csc(Nc3nc(C)cc(C)n3)n2)n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.66
▸ POLB P06746 3/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ ESR2 Q92731 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ TSHR P16473 2/20 0.61
▸ MAPT P10636 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HTT P42858 2/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ LMNA P02545 2/20 0.58

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
SCHEMBL6520420 0.82 GAA (0.77) GAAPOLBMEN1KMT2AESR2
SCHEMBL24101409 0.80 TDP1 (0.65) GAAPOLBMEN1KMT2AESR2
SCHEMBL8350499 0.80 GAA (0.77) GAAPOLBMEN1KMT2AESR2
SCHEMBL7503570 0.80 GAA (0.77) GAAPOLBMEN1KMT2AESR2
SCHEMBL7930533 0.80 GAA (0.77) GAAPOLBMEN1KMT2AESR2
SCHEMBL9232215 0.80 GAA (1.00) GAAPOLBMEN1KMT2AESR2
SCHEMBL24101421 0.79 MAPT (0.77) GAAPOLBMEN1KMT2AESR2
SCHEMBL6220893 0.78 MAPT (0.74) GAAPOLBMEN1KMT2AESR2
SCHEMBL5242489 0.78 GAA (0.73) GAAPOLBMEN1KMT2AESR2
SCHEMBL24101802 0.77 SLC12A2 (0.51) GAAPOLBMEN1KMT2AESR2

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-2021249517-A1 A MOLECULAR GLUE REGULATING CDK12-DDB1 INTERACTION TO TRIGGER CYCLIN K DEGRADATION NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-12-16 — — WO disclosed
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