SCHEMBL20404649

SCHEMBL20404649

NC(N)(Cn1cccn1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
FDPS P14324 1/20 0.40
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
GLS O94925 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
NOS3 P29474 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
SCHEMBL18338554 0.78 HTT (0.40) HTTFDPSTSHRTDP1HDAC1
SCHEMBL27726715 0.75 HTT (0.38) HTTFDPSTSHRTDP1HDAC1
SCHEMBL16861331 0.72 FDPS (0.36) FDPSTSHRTDP1CA12CA1
SCHEMBL30171197 0.71 AR (0.46) HTTFDPSTSHRTDP1HDAC1
SCHEMBL27726640 0.70 FDPS (0.37) HTTFDPSTSHRTDP1HDAC1
SCHEMBL1073206 0.70
SCHEMBL7838436 0.69 TSHR (0.41) HTTFDPSTSHRTDP1HDAC1
Trifluoroacetic Acid SCHEMBL29488711 0.69 HTT (0.39) HTTFDPSTSHRTDP1HDAC1
SCHEMBL14744196 0.68 AR (0.36) HTTFDPSTSHRTDP1HDAC1
Bromide SCHEMBL6981267 0.68 FDPS (0.44) HTTFDPSTSHRTDP1HDAC1

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-2970388-B1 PEPTIDE COMPOSITIONS RHYTHM PHARMACEUTICALS INC (US) 2018-07-25 EP disclosed