SCHEMBL15045974

SCHEMBL15045974

C#C[C@@]1(F)[C@H](O)[C@@H](COCC)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 6/20 0.49
NT5E P21589 1/20 0.45
PNP P00491 1/20 0.43
GSK3A P49840 2/20 0.43
RPS6KA3 P51812 2/20 0.43
MAPK14 Q16539 2/20 0.43
POLB P06746 1/20 0.43
TGM2 P21980 1/20 0.42
ADORA3 P0DMS8 2/20 0.42
HPGD P15428 1/20 0.41
FUT5 Q11128 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
STING1 Q86WV6 1/20 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
SCHEMBL15045985 0.91 HINT1 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL12149979 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL20977459 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL1375510 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL16021599 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL1375512 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL12281166 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL12194531 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL16023838 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3
SCHEMBL15788003 0.87 ADORA3 (0.48) HINT1NT5EPNPGSK3ARPS6KA3

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
WO-2013090420-A2 FATTY ACID ANTIVIRAL CONJUGATES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2013-06-20 WO disclosed