SCHEMBL16378774

SCHEMBL16378774

Cc1nc2c(N)ncnc2n1C1OC(CN)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AMD1 P17707 8/20 0.77
HSPA5 P11021 2/20 0.65
HSPA8 P11142 2/20 0.65
RXFP1 Q9HBX9 1/20 0.62
NADK O95544 2/20 0.60
HSD17B10 Q99714 1/20 0.60
GAPDH P04406 1/20 0.60

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
SCHEMBL967124 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL967122 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL15906323 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL1135195 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL18858928 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL15906300 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL16805420 0.90 HSPA8 (0.80) AMD1HSPA5HSPA8RXFP1HSD17B10
SCHEMBL952454 0.89 AMD1 (0.76) AMD1HSPA5HSPA8RXFP1NADK
SCHEMBL952452 0.89 AMD1 (0.76) AMD1HSPA5HSPA8RXFP1NADK
SCHEMBL955366 0.87 AMD1 (1.00) AMD1HSPA5HSPA8RXFP1NADK

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-8927520-B2 Antibacterial compounds INSTITUT PASTEUR (FR) 2015-01-06 US disclosed