SCHEMBL13986930

SCHEMBL13986930

O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.55
XDH P47989 1/20 0.52
DHODH Q02127 3/20 0.50
GSTP1 P09211 1/20 0.50
ALPL P05186 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
ERAP1 Q9NZ08 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MDH2 P40926 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PLA2G4B P0C869 1/20 0.47
MDM2 Q00987 1/20 0.46

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
SCHEMBL4848506 0.87 MEN1 (0.53) MCL1XDHALPLHPGD
SCHEMBL1927068 0.81 TP53 (0.58) MCL1DHODHALPLSMN1; SMN2
SCHEMBL1925580 0.81 TP53 (0.62) DHODHALPLSMN1; SMN2
SCHEMBL11680709 0.80 MCL1 (0.60) MCL1XDHDHODHGSTP1NR4A1
SCHEMBL4851311 0.79 ALPL (0.68) ALPLALDH1A1HPGDSMN1; SMN2
SCHEMBL4848211 0.79 GSK3B (0.49) ERAP1ALDH1A1SMN1; SMN2
SCHEMBL4854459 0.79 ALPL (0.64) ALPL
SCHEMBL9905372 0.77 XDH (0.59) MCL1XDHGSTP1ERAP1ALDH1A1
SCHEMBL20471405 0.76 DHODH (0.54) DHODHALPLSMN1; SMN2
SCHEMBL7901147 0.75 MAPT (0.69) ALPLERAP1ALDH1A1SMN1; 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 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