SCHEMBL13986969

SCHEMBL13986969

Cc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccncc4)n[nH]c3=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
GFER P55789 1/20 0.54
PTGS2 P35354 5/20 0.54
PTGS1 P23219 3/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GSK3B P49841 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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 0.89 SNCA (0.60) MTNR1AMTNR1BPTGS2PTGS1MAPT
SCHEMBL13987008 0.89 KMT2A (0.59) MTNR1AMTNR1BPTGS2PTGS1RAB9A
SCHEMBL13986973 0.88 SIRT1 (0.56) PTGS2PTGS1NPC1RAB9AATM
SCHEMBL14374752 0.88 SNCA (0.49) GAAPTGS2PTGS1MAPTSMN1; SMN2
SCHEMBL13986972 0.83 MTNR1A (0.56) GAAMTNR1AMTNR1BPTGS2PTGS1
SCHEMBL13986957 0.80 GSK3B (0.56) GAAMAPTGSK3BPOLBKDM4E
SCHEMBL4851367 0.77 GSK3B (0.61) MAPTGSK3BPOLBKDM4ELMNA
SCHEMBL13986976 0.77 P2RX7 (0.63) GAAMAPTGSK3BPOLBALDH1A1
SCHEMBL5235839 0.77 GSK3B (0.68) GAANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4851138 0.76 GSK3B (0.58) NPC1RAB9AMAPTGSK3BALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7462613-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-09 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed
US-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 US disclosed