SCHEMBL7983840

SCHEMBL7983840

CNC(=O)c1cn(Cc2cccc(OCCNC(=O)O)c2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR1B P28222 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HRH1 P35367 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL7997642 0.90 MAPT (0.42) KLKB1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7983883 0.89 SCN9A (0.43) KLKB1
SCHEMBL7994180 0.88 KLKB1 (0.39) KLKB1SMN1; SMN2HPGDSMYD3
SCHEMBL7998248 0.88 KLKB1 (0.35) KLKB1HTR1BALDH1A1SMYD3
SCHEMBL7983762 0.81 SCN9A (0.44)
SCHEMBL7998407 0.78 STING1 (0.41) MAPTSMYD3
SCHEMBL7995743 0.75 STING1 (0.41) MEN1KMT2A
SCHEMBL7995439 0.73 KDM4E (0.49) NPC1RAB9ASMN1; SMN2HTR1BALDH1A1
SCHEMBL7997358 0.72 MEN1 (0.46) NPC1RAB9ASMN1; SMN2HTR1BALDH1A1
SCHEMBL8001602 0.72 ALDH1A1 (0.38) KLKB1NPC1RAB9AMAPTSMN1; SMN2

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-2001034578-A1 COMPOUNDS WITH ANTI-HELICOBACTER PYLORI ACTIVITY ASTRAZENECA AB (SE) 2001-05-17 WO disclosed