SCHEMBL11240694

SCHEMBL11240694

CCOC(=O)C(O)(CC(=O)c1ccccn1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.47
WNT3A P56704 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MITF O75030 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 4/20 0.44
GRM4 Q14833 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.42
ALDH3A1 P30838 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL11239546 0.82 P2RX7 (0.47) SMN1; SMN2NPC1POLBRAB9ANPSR1
SCHEMBL21001276 0.80 KDM4E (0.40) SMN1; SMN2POLBRAB9AKDM4ENPSR1
SCHEMBL11293268 0.79 LMNA (0.53) CTNNB1WNT3ASMN1; SMN2NPC1RAB9A
SCHEMBL30211285 0.78 ALDH1A1 (0.55) CTNNB1WNT3ASMN1; SMN2NPC1RAB9A
SCHEMBL22413460 0.78 ALDH1A1 (0.43) SMN1; SMN2POLBRAB9AKDM4ENPSR1
SCHEMBL601821 0.76 LMNA (0.54) CTNNB1WNT3ASMN1; SMN2NPC1POLB
SCHEMBL22413472 0.76 POLB (0.50) SMN1; SMN2NPC1POLBRAB9AKDM4E
SCHEMBL30450401 0.76 POLB (0.50) SMN1; SMN2NPC1POLBRAB9AKDM4E
SCHEMBL14602193 0.75 NPC1 (0.57) CTNNB1WNT3ASMN1; SMN2NPC1RAB9A
Ethyl Picolinate SCHEMBL126181 0.75 CYP1A2 (0.65) SMN1; SMN2NPC1POLBRAB9AKDM4E

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 10 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
EP-1611121-B1 PYRIDAZINONE DERIVATIVES AS CDK2-INHIBITORS AVENTIS PHARMA SA (FR) 2007-08-08 EP disclosed
EP-1581505-B1 PYRIDAZINONE DERIVATIVES AS GSK-3BETA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-08-01 EP disclosed
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed