SCHEMBL7625440

SCHEMBL7625440

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
NT5E P21589 1/20 0.43
POLB P06746 1/20 0.42
ENPP1 P22413 2/20 0.42
P2RY1 P47900 1/20 0.42
DNMT3B Q9UBC3 1/20 0.39
AHCY P23526 1/20 0.39
ADCY5 O95622 3/20 0.39

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
SCHEMBL7620290 0.88 ADORA1 (0.47) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL30473748 0.85 POLB (0.56) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL22327447 0.85 POLB (0.56) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL26068423 0.85 POLB (0.56) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL7623380 0.85 POLB (0.56) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL7621202 0.83 ADORA1 (0.46) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL18512717 0.79 HINT1 (0.44) NT5EAHCY
SCHEMBL17198286 0.79 HINT1 (0.44) NT5EAHCY
SCHEMBL8584884 0.79 P2RY12 (0.48) ADORA1NT5EPOLBENPP1P2RY1
SCHEMBL7621351 0.79 P2RY12 (0.48) ADORA1NT5EPOLBENPP1P2RY1

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