SCHEMBL13986975

SCHEMBL13986975

O=C(NCCc1cccs1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.54
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 1/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL13986948 0.81 GSK3B (0.54) GSK3BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13986976 0.81 P2RX7 (0.63) GSK3BMAPTMEN1POLBKMT2A
SCHEMBL13986947 0.81 GSK3B (0.56) GSK3BNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13986993 0.81 GSK3B (0.64) GSK3BROCK2ROCK1MAPTHDAC3
SCHEMBL4851367 0.81 GSK3B (0.61) GSK3BMAPTMEN1POLBKMT2A
SCHEMBL13986963 0.81 GSK3B (0.56) GSK3BSMN1; SMN2MAPTHDAC3HDAC4
SCHEMBL13986957 0.80 GSK3B (0.56) GSK3BROCK2ROCK1MAPTPOLB
SCHEMBL13986960 0.80 GSK3B (0.53) GSK3BROCK2ROCK1MAPTHDAC3
SCHEMBL13986983 0.80 GSK3B (0.64) GSK3BNPC1RAB9ASMN1; SMN2ROCK2
SCHEMBL13986954 0.80 GSK3B (0.55) GSK3BNPC1SMN1; SMN2ROCK2ROCK1

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