SCHEMBL28402007

SCHEMBL28402007

C#CCn1cc(C)c(N)nc1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.37
ADORA2B P29275 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL28399968 0.80 ALB (0.36) EP300ADORA2B
SCHEMBL11718699 0.79 EP300 (0.43) EP300KDM4EMEN1ALDH1A1KMT2A
SCHEMBL27707200 0.77 EP300 (0.42) EP300ADORA3
SCHEMBL21546149 0.76 EP300 (0.44) EP300ADORA2BKDM4EALDH1A1
SCHEMBL28397945 0.75 EP300 (0.44) EP300KMT2A
SCHEMBL19711602 0.75 EP300 (0.40) EP300ADORA3
SCHEMBL8769047 0.73 ALDH1A1 (0.44) EP300ADORA2BKDM4EALDH1A1KMT2A
SCHEMBL27299849 0.72 EP300 (0.39) EP300MEN1ALDH1A1KMT2A
SCHEMBL17041803 0.70 EP300 (0.33) EP300KDM4EALDH1A1
SCHEMBL20182182 0.70 DYRK1A (0.32) ADORA2B

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
CN-106883217-B Nucleoside base hydroxamic acid derivative compound and preparation method and application thereof 清华大学深圳研究生院 2020-05-22 CN disclosed