SCHEMBL13986952

SCHEMBL13986952

O=C(NC[C@H]1CCCO1)c1cc(-c2ccncc2)n[nH]c1=O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 6/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
POLB P06746 2/20 0.53
TSHR P16473 1/20 0.53
GSK3B P49841 1/20 0.52
RXFP1 Q9HBX9 2/20 0.51
MAPT P10636 1/20 0.50
RAB9A P51151 5/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GAA P10253 2/20 0.49
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
PKM P14618 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
SCHEMBL14348306 1.00 KDM4E (0.55) KDM4EALDH1A1L3MBTL1POLBTSHR
SCHEMBL5232137 0.84 GSK3B (0.59) GSK3B
SCHEMBL5235149 0.83 GSK3B (0.56) POLBGSK3BRAB9AKMT2AMEN1
SCHEMBL13987012 0.80 GSK3B (0.55) ALDH1A1L3MBTL1GSK3BRXFP1MAPT
SCHEMBL17883287 0.78 ALDH1A1 (0.62) KDM4EALDH1A1L3MBTL1POLBRXFP1
SCHEMBL13987018 0.76 GSK3B (0.53) ALDH1A1L3MBTL1GSK3BMAPTKMT2A
SCHEMBL5236116 0.76 GSK3B (0.52) ALDH1A1L3MBTL1GSK3BKMT2AMEN1
SCHEMBL5233639 0.76 GSK3B (0.52) ALDH1A1GSK3BKMT2AMEN1GAA
SCHEMBL4856282 0.76 GSK3B (0.69) POLBTSHRGSK3BGAASMN1; SMN2
SCHEMBL5232508 0.76 MAPK8 (0.55) GSK3B

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 2 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