SCHEMBL7621202

SCHEMBL7621202

CC(C)(C)[Si](OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1C=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.46
POLB P06746 1/20 0.44
ENPP1 P22413 2/20 0.44
P2RY1 P47900 1/20 0.44
AHCY P23526 5/20 0.43
NT5E P21589 1/20 0.42
P2RY12 Q9H244 2/20 0.41
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
APEX1 P27695 1/20 0.40
PI4KA P42356 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ADCY1 Q08828 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40

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
SCHEMBL7621351 0.90 P2RY12 (0.48) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL8972151 0.90 P2RY12 (0.48) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL8584884 0.90 P2RY12 (0.48) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL26068423 0.88 POLB (0.56) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL22327447 0.88 POLB (0.56) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL30473748 0.88 POLB (0.56) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL7623380 0.88 POLB (0.56) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL7620290 0.86 ADORA1 (0.47) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL7625440 0.83 ADORA1 (0.43) ADORA1POLBENPP1P2RY1AHCY
SCHEMBL10436009 0.81 BCHE (0.52) ADORA1AHCYNT5ETP53CYP2C9

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
US-6444798-B1 GENETIC ENGINEERING BENNER, STEVEN 2002-09-03 US disclosed