SCHEMBL21242759

SCHEMBL21242759

NC(CS)Cc1cnc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
HRH4 Q9H3N8 7/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
GLA P06280 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP1A2 P05177 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
LMNA P02545 2/20 0.59
APEX1 P27695 2/20 0.59
BLM P54132 1/20 0.59
CYP3A4 P08684 1/20 0.54
SLC7A5 Q01650 1/20 0.54
HRH1 P35367 6/20 0.47
HRH2 P25021 3/20 0.47
MIF P14174 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL13779893 0.82 HRH3 (0.63) HRH3HRH4ALDH1A1MEN1GLA
Histidinol SCHEMBL6546332 0.81 HRH4 (0.61) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL6546327 0.81 HRH4 (0.61) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL4506698 0.81 HRH3 (0.61) HRH3HRH4ALDH1A1MEN1GLA
Histidinol SCHEMBL407337 0.81 HRH4 (0.61) HRH3HRH4ALDH1A1MEN1GLA
Histidinol SCHEMBL10002446 0.81 HRH4 (0.61) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL13436837 0.80
Histidinol SCHEMBL29986891 0.79 HRH4 (0.62) HRH3HRH4ALDH1A1MEN1GLA
SCHEMBL12328968 0.76
SCHEMBL3925179 0.76

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-2758426-B1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK AS (DK) 2019-08-07 EP disclosed