SCHEMBL28026892

SCHEMBL28026892

COc1ccc(C2C(C#N)=C(N(N)C(N)=O)SC(N(N)C(N)=O)=C2C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.48
KDM4E B2RXH2 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
GAA P10253 3/20 0.46
CASP1 P29466 2/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CASP7 P55210 1/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 10/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.39
GLA P06280 1/20 0.38
HIF1A Q16665 1/20 0.38
USP2 O75604 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL28027514 0.83 CUL4A (0.54) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28026889 0.83 CUL4A (0.54) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28026887 0.83 KMT2A (0.40) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28026886 0.82 CUL4A (0.51) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28026888 0.74 KMT2A (0.43) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL15572874 0.73 MEN1 (0.68) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28027509 0.71 CUL4A (0.55) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28026890 0.70 EEF2K (0.56) CUL4AKDM4EMEN1KMT2AMAPT
SCHEMBL28027503 0.68 CUL4A (0.59) CUL4A
SCHEMBL22501255 0.67 CA1 (0.53) KDM4EMAPTTP53RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104968323-A Inhibitors of CRL4 ubiquitin ligase and uses thereof UNIV CORNELL 2015-10-07 CN claimed
CN-104968323-A Inhibitors of CRL4 ubiquitin ligase and uses thereof UNIV CORNELL 2015-10-07 CN disclosed