SCHEMBL9564683

SCHEMBL9564683

CC(=O)Nc1nc2ncn(C3C=CC(OC(C)=O)C3)c2c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
GDA Q9Y2T3 1/20 0.41
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ACHE P22303 1/20 0.36
FGFR1 P11362 4/20 0.36
FGFR2 P21802 4/20 0.36
ADCY5 O95622 5/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
FGFR3 P22607 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
SCHEMBL10098907 0.71 LMNA (0.37)
SCHEMBL308206 0.71 LMNA (0.37)
SCHEMBL2024502 0.69 ADCY5 (0.37) ADCY5
SCHEMBL2024506 0.69 ADCY5 (0.37) ADCY5
SCHEMBL9752192 0.69 MEN1 (0.54) KDM4EGAAMEN1TSHRKMT2A
SCHEMBL9752191 0.69 MEN1 (0.54) KDM4EGAAMEN1TSHRKMT2A
SCHEMBL28761096 0.68 GDA (0.47) KDM4EGAAGDAMEN1TSHR
SCHEMBL2015100 0.67 AHCY (0.38) ADCY5
SCHEMBL2015103 0.67 AHCY (0.38) ADCY5
SCHEMBL8444827 0.67 MEN1 (0.71) KDM4EGAAGDAMEN1TSHR

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
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 EP disclosed