SCHEMBL7487789

SCHEMBL7487789

Cn1[c]nc2ccc(C(=O)NC(CP(=O)(O)O)C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
CA1 P00915 7/20 0.36
CA2 P00918 7/20 0.36
PIN1 Q13526 8/20 0.36
ACSS2 Q9NR19 1/20 0.35

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
SCHEMBL3648771 0.75 ACSS2 (0.49) ACSS2
SCHEMBL4223848 0.72 ACSS2 (0.51) ACSS2
SCHEMBL7490565 0.71 PIN1 (0.41) PIN1ACSS2
SCHEMBL7489855 0.71 PIN1 (0.46) PIN1ACSS2
SCHEMBL7486158 0.71 ACSS2 (0.38) PIN1ACSS2
SCHEMBL3656285 0.71 FGFR1 (0.39)
Hydrochloric Acid SCHEMBL7478353 0.71 PIN1 (0.45) PIN1ACSS2
SCHEMBL7482199 0.70 PIN1 (0.38) PIN1ACSS2
SCHEMBL7485438 0.70 PIN1 (0.37) PIN1ACSS2
SCHEMBL7421962 0.70 PIN1 (0.35) PIN1ACSS2

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-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed