SCHEMBL28027554

SCHEMBL28027554

N#CC1=C(N(N)C(N)=O)SC(N(N)C(N)=O)=C(C#N)C1c1ccnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
KDM4E B2RXH2 3/20 0.61
TP53 P04637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
CASP1 P29466 1/20 0.61
BRCA1 P38398 1/20 0.61
KMT2A Q03164 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NR3C2 P08235 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTK2B Q14289 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.33
NCF1 P14598 1/20 0.33
CUL4A Q13619 1/20 0.32

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
SCHEMBL15570742 0.76 MAPT (1.00) MAPTKDM4ETP53ALDH1A1MEN1
SCHEMBL28026890 0.76 EEF2K (0.56) MAPTKDM4EALDH1A1MEN1ALOX15
SCHEMBL28026886 0.75 CUL4A (0.51) MAPTKDM4ETP53ALDH1A1MEN1
SCHEMBL28027503 0.73 CUL4A (0.59) CUL4A
SCHEMBL28027514 0.73 CUL4A (0.54) MAPTKDM4ETP53ALDH1A1MEN1
SCHEMBL28027509 0.69 CUL4A (0.55) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL28026889 0.68 CUL4A (0.54) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL28026887 0.68 KMT2A (0.40) MAPTKDM4EALDH1A1MEN1HPGD
SCHEMBL28026888 0.68 KMT2A (0.43) MAPTKDM4ETP53ALDH1A1MEN1
SCHEMBL28027511 0.67 ALDH1A1 (0.58) MAPTKDM4ETP53ALDH1A1MEN1

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