SCHEMBL13986973

SCHEMBL13986973

O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PTGS1 P23219 4/20 0.55
PTGS2 P35354 3/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
POLB P06746 1/20 0.54
CDK4 P11802 5/20 0.54
CCND1 P24385 5/20 0.54
GSK3B P49841 2/20 0.54
ATM Q13315 1/20 0.53

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
SCHEMBL13986969 0.88 GAA (0.57) SMN1; SMN2PTGS1PTGS2NPC1RAB9A
SCHEMBL13986980 0.88 SNCA (0.60) PTGS1PTGS2GSK3B
SCHEMBL14374752 0.86 SNCA (0.49) SIRT1SMN1; SMN2PTGS1PTGS2GSK3B
SCHEMBL13986972 0.86 MTNR1A (0.56) MEN1KMT2APTGS1PTGS2NPC1
SCHEMBL13987008 0.86 KMT2A (0.59) MEN1KMT2APTGS1PTGS2RAB9A
SCHEMBL13986976 0.83 P2RX7 (0.63) MEN1KMT2APOLBGSK3B
SCHEMBL13987007 0.82 GSK3B (0.46) SIRT1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL13986957 0.82 GSK3B (0.56) KMT2APOLBGSK3B
SCHEMBL13986983 0.82 GSK3B (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13986958 0.80 LMNA (0.62) MEN1KMT2ASMN1; SMN2POLBGSK3B

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