SCHEMBL7460486

SCHEMBL7460486

Cc1cnc2c(OC(=O)c3ccccc3)cccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
METAP2 P50579 1/20 0.64
METAP1 P53582 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
PSMD14 O00487 1/20 0.47
COPS5 Q92905 1/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
ALOX5 P09917 1/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC40A1 Q9NP59 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
SCHEMBL9358679 0.86 PARP1 (0.56) LMNAMETAP2METAP1HDAC6PARP1
SCHEMBL7466188 0.83 PARP1 (0.56) LMNAMETAP2METAP1HDAC6PARP1
Benzoxiquine SCHEMBL30599448 0.79 LMNA (1.00) LMNAMETAP2METAP1HDAC6KDM4E
Benzoxiquine SCHEMBL360626 0.79 LMNA (1.00) LMNAMETAP2METAP1HDAC6KDM4E
Benzoxiquine SCHEMBL29729484 0.79 LMNA (1.00) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL27574877 0.78 LMNA (0.53) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL15868230 0.76 LMNA (0.72) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL434888 0.75 HPGDS (0.62) LMNAPARP1KDM4EMAPTPSMD14
SCHEMBL4558091 0.74 LMNA (0.58) LMNAMETAP2METAP1HDAC6PARP1
Benzoxiquine SCHEMBL10868407 0.74 LMNA (0.89) LMNAMETAP2METAP1HDAC6KDM4E

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-0747362-B1 Substituted quinoline herbicide intermediates and process BASF AG (DE) 2002-10-30 EP disclosed
EP-0812828-B1 Process for the preparation of (5,6-dicarboxy-3-pyridyl) methyl ammonium halides BASF AG (DE) 2002-03-13 EP disclosed
US-6002012-A Process for the preparation of [(5,6-dicarboxy-3-pyridyl) methyl] ammonium halides AMERICAN CYANAMID COMPANY (US) 1999-12-14 US disclosed
EP-0812828-A1 Process for the preparation of (5,6-dicarboxy-3-pyridyl) methyl ammonium halides American Cyanamid Company (US) 1997-12-17 EP disclosed
EP-0747362-A1 Substituted quinoline herbicide intermediates and process American Cyanamid Company (US) 1996-12-11 EP disclosed