SCHEMBL30786568

SCHEMBL30786568

CCCC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H]([SeH])[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT1 Q9H9B1 1/20 0.54
ADORA3 P0DMS8 4/20 0.53
ADORA2A P29274 2/20 0.52
ADORA2B P29275 2/20 0.52
ADORA1 P30542 2/20 0.52
KMT2A Q03164 2/20 0.52
DOT1L Q8TEK3 2/20 0.52
DPP4 P27487 1/20 0.52
MEN1 O00255 1/20 0.52
SLC28A1 O00337 1/20 0.52
MAP3K7 O43318 1/20 0.52
SLC28A2 O43868 1/20 0.52
GAPDH P04406 1/20 0.52
MAPK1 P28482 1/20 0.52
STAT6 P42226 1/20 0.52
PI4KA P42356 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
SLC29A1 Q99808 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52

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
SCHEMBL30786564 0.92 ADORA3 (0.54) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL18026183 0.91 EHMT1 (0.62) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL21837300 0.91 EHMT1 (0.62) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL18055826 0.91 EHMT1 (0.62) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL18026190 0.91 EHMT1 (0.62) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL30786567 0.88 EGFR (0.62) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL18055827 0.87 EHMT1 (0.58) EHMT1ADORA3ADORA2AADORA2BADORA1
SCHEMBL29620354 0.86 PRMT5 (0.56) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL16057287 0.86 PRMT5 (0.56) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL800618 0.82 ADORA3 (0.63) EHMT1ADORA3ADORA2AADORA2BADORA1

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
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP disclosed