SCHEMBL14374752

SCHEMBL14374752

O=C(NCCc1c[nH]c2ccc(CI)cc12)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SNCA P37840 8/20 0.49
GSK3B P49841 2/20 0.49
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL13986980 0.88 SNCA (0.60) SNCAGSK3BPTGS1PTGS2HPGD
SCHEMBL13986969 0.88 GAA (0.57) SNCAGSK3BPTGS1PTGS2GAA
SCHEMBL13986973 0.86 SIRT1 (0.56) GSK3BPTGS1PTGS2SMN1; SMN2SIRT1
SCHEMBL13987008 0.85 KMT2A (0.59) PTGS1PTGS2TRPV1HPGD
SCHEMBL13986972 0.80 MTNR1A (0.56) GSK3BPTGS1PTGS2TRPV1GAA
SCHEMBL13986963 0.77 GSK3B (0.56) GSK3BGAAPARP1SMN1; SMN2MAPT
SCHEMBL13986986 0.76 GSK3B (0.66) GSK3BGAAPARP1SMN1; SMN2MAPT
SCHEMBL13986979 0.76 MAPT (0.65) GSK3BGAAMAPT
SCHEMBL13986961 0.76 GSK3B (0.55) GSK3BGAAPARP1SMN1; SMN2MAPT
SCHEMBL13986976 0.75 P2RX7 (0.63) GSK3BGAAHPGDPARP1MAPT

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-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed