SCHEMBL8945334

SCHEMBL8945334

O=C(NCCO)c1ccnc(C(=O)NCCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
KMT2A Q03164 7/20 0.51
MEN1 O00255 4/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NEK1 Q96PY6 1/20 0.48
KDM5A P29375 2/20 0.47
KDM5C P41229 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
S1PR1 P21453 1/20 0.46
KDM6B O15054 1/20 0.46
TET3 O43151 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
SCHEMBL9561544 0.89 POLB (0.51) POLBITGB3ITGA2BKMT2AMEN1
SCHEMBL8945361 0.89 ITGB3 (0.44) POLBHPGDHTTITGB3ITGA2B
Lufironil SCHEMBL344625 0.84 HPGD (0.56) HPGDITGB3ITGA2BKMT2AMEN1
SCHEMBL3299192 0.83 HPGD (0.51) POLBHPGDHTTKMT2AMEN1
SCHEMBL10357586 0.83 HPGD (0.51) POLBHPGDHTTKMT2AMEN1
SCHEMBL17804151 0.83 HPGD (0.59) POLBHPGDHTTKMT2AMEN1
SCHEMBL4353042 0.83 ITGB3 (0.47) HTTITGB3ITGA2BKMT2AMEN1
SCHEMBL5215104 0.82 KDM5B (0.71) HTTKMT2AMEN1KDM4EALDH1A1
SCHEMBL5214030 0.82 RAB9A (0.62) HTTITGB3ITGA2BKMT2AMEN1
Safironil SCHEMBL344153 0.82 ALDH1A1 (0.62) HPGDHTTITGB3ITGA2BKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409119-B1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AG (DE) 1994-04-13 EP claimed
JP-3058973-A None JP disclosed
US-5519038-A ENZYME INHIBITORS SUITABLE AS FIBROSUPPRESSANTS AND IMMUNOSUPPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-21 US disclosed
JP-H0358973-A N,N'-BIS(ALKOXYALKYL)-PYRIDINE-2,4-DICARBOXYLIC ACID DIAMIDES HOECHST AG 1991-03-14 JP disclosed
EP-0409119-A1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-23 EP disclosed