SCHEMBL9548702

SCHEMBL9548702

CC(=O)OC[C@]1(C#N)CC[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 4/20 0.43
ADORA3 P0DMS8 1/20 0.42
PNP P00491 2/20 0.41
POLB P06746 1/20 0.41
HPRT1 P00492 2/20 0.40
GSK3A P49840 2/20 0.39
RPS6KA3 P51812 2/20 0.39
MAPK14 Q16539 2/20 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
SCHEMBL9548708 0.86 ADORA3 (0.51) ADORA3PNPPOLBHPRT1
SCHEMBL9548804 0.85 HINT1 (0.40) HINT1ADORA3PNP
SCHEMBL9548875 0.82 ADORA2A (0.44) ADORA3
SCHEMBL9548655 0.78 HINT1 (0.40) HINT1ADORA3PNPPOLBHPRT1
SCHEMBL9548664 0.78 HINT1 (0.40) HINT1ADORA3PNPPOLBHPRT1
SCHEMBL20879513 0.76 ADORA3 (0.53) HINT1ADORA3PNPPOLBHPRT1
SCHEMBL9548765 0.76 ADORA3 (0.55) ADORA3PNPPOLBHPRT1
SCHEMBL30633167 0.75 HINT1 (0.51) HINT1ADORA3PNPPOLBHPRT1
SCHEMBL9548867 0.75 PDE3A (0.41) POLB
SCHEMBL9152455 0.75 ADORA3 (0.51) HINT1ADORA3PNPPOLBHPRT1

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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed