SCHEMBL7486158

SCHEMBL7486158

CC(c1nc2cc(F)cc(F)c2[nH]1)c1nc2ccc(C(=O)NC(CP(=O)(O)O)C(=O)O)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 9/20 0.38
TPSAB1 Q15661 4/20 0.38
TPSD1 Q9BZJ3 4/20 0.38
TPSG1 Q9NRR2 4/20 0.38
PLG P00747 2/20 0.36
PIN1 Q13526 1/20 0.36
TYMS P04818 1/20 0.34
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7479311 0.91 ACSS2 (0.37) ACSS2TPSAB1TPSD1TPSG1PLG
SCHEMBL7490565 0.88 PIN1 (0.41) ACSS2TPSAB1TPSD1TPSG1PLG
SCHEMBL7482199 0.87 PIN1 (0.38) ACSS2TPSAB1TPSD1TPSG1PLG
SCHEMBL7485438 0.87 PIN1 (0.37) ACSS2TPSAB1TPSD1TPSG1PLG
SCHEMBL7485136 0.87 TPSAB1 (0.39) ACSS2TPSAB1TPSD1TPSG1PLG
SCHEMBL7489855 0.84 PIN1 (0.46) ACSS2PIN1MAPT
Hydrochloric Acid SCHEMBL7478353 0.83 PIN1 (0.45) ACSS2PIN1MAPT
SCHEMBL7421962 0.83 PIN1 (0.35) ACSS2PIN1
SCHEMBL7478946 0.83 ACSS2 (0.39) ACSS2PIN1
SCHEMBL7482906 0.82 IKBKB (0.37) ACSS2PLGPIN1SMN1; SMN2

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