SCHEMBL19861753

SCHEMBL19861753

C[C@@H](OC(CO)(CF)C(O)N=[N+]=[N-])n1ccc(=O)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DUT P33316 3/20 0.31
P2RY2 P41231 1/20 0.30
P2RY4 P51582 1/20 0.30

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
SCHEMBL20227083 1.00 PKM (0.34) PKMPOLBHSD17B10DUTP2RY2
SCHEMBL19861905 0.86 P2RY2 (0.41) P2RY2P2RY4
SCHEMBL19861772 0.83 DUT (0.34) PKMPOLBHSD17B10DUT
SCHEMBL20227039 0.82 DUT (0.34) PKMPOLBHSD17B10DUT
SCHEMBL19861761 0.81 FGFR1 (0.32)
SCHEMBL20227095 0.80 DUT (0.38) PKMPOLBHSD17B10DUT
SCHEMBL13846329 0.78 POLB (0.32) POLBHSD17B10
SCHEMBL22475071 0.77 DUT (0.37) PKMPOLBHSD17B10DUT
SCHEMBL13846332 0.76 POLB (0.32) POLBHSD17B10
SCHEMBL19861771 0.76 DUT (0.34) PKMPOLBHSD17B10DUT

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-9890188-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-02-13 US disclosed