SCHEMBL7477974

SCHEMBL7477974

CC(c1nc2c([nH]1)CCN(C(=O)NC(C)(C)C)C2)c1nc2ccc(C(=O)NC(CP(=O)(O)O)C(=O)O)cc2n1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLG P00747 6/20 0.32
ACSS2 Q9NR19 2/20 0.32
DGAT2 Q96PD7 2/20 0.31
NR1H4 Q96RI1 3/20 0.31

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
SCHEMBL7482383 0.92 PLG (0.33) PLGACSS2NR1H4
SCHEMBL7478886 0.91 PLG (0.33) PLGACSS2NR1H4
SCHEMBL7484578 0.90 PLG (0.33) PLGACSS2NR1H4
SCHEMBL7122845 0.81 GRN (0.37) PLGNR1H4
SCHEMBL7489855 0.77 PIN1 (0.46) ACSS2
SCHEMBL7073159 0.76 TP53 (0.36) PLGACSS2
Hydrochloric Acid SCHEMBL7478353 0.76 PIN1 (0.45) ACSS2
SCHEMBL7074567 0.75 TAS1R3 (0.38) PLGNR1H4
SCHEMBL7478946 0.75 ACSS2 (0.39) ACSS2NR1H4
SCHEMBL7482199 0.75 PIN1 (0.38) PLGACSS2

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