SCHEMBL7478923

SCHEMBL7478923

Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(C(=O)NC(CP(=O)(O)O)C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.39
TPSD1 Q9BZJ3 6/20 0.39
TPSG1 Q9NRR2 6/20 0.39
PIN1 Q13526 4/20 0.37
ACSS2 Q9NR19 4/20 0.37
TYMS P04818 1/20 0.34
PLG P00747 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
FPGS Q05932 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
SCHEMBL7485136 0.84 TPSAB1 (0.39) TPSAB1TPSD1TPSG1PIN1ACSS2
SCHEMBL2526178 0.82 PIN1 (0.41) PIN1ACSS2PIK3CDPIK3CB
SCHEMBL2526173 0.82 PIN1 (0.41) PIN1ACSS2PIK3CDPIK3CB
SCHEMBL2528847 0.80 PIN1 (0.39) TPSAB1TPSD1TPSG1PIN1ACSS2
SCHEMBL2528844 0.80 PIN1 (0.39) TPSAB1TPSD1TPSG1PIN1ACSS2
SCHEMBL7481691 0.79 PIN1 (0.41) TPSAB1TPSD1TPSG1PIN1ACSS2
Hydrochloric Acid SCHEMBL7477525 0.79 PIN1 (0.40) TPSAB1TPSD1TPSG1PIN1ACSS2
SCHEMBL7485438 0.76 PIN1 (0.37) TPSAB1TPSD1TPSG1PIN1ACSS2
SCHEMBL7479311 0.75 ACSS2 (0.37) TPSAB1TPSD1TPSG1PIN1ACSS2
SCHEMBL7486158 0.72 ACSS2 (0.38) TPSAB1TPSD1TPSG1PIN1ACSS2

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