SCHEMBL3633046

SCHEMBL3633046

Cc1cc2cc(-c3cc(C(=O)O)ccc3C)ccc2c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.61
GRIA1 P42261 1/20 0.61
GRIA2 P42262 1/20 0.61
GRIA3 P42263 1/20 0.61
GRIA4 P48058 1/20 0.61
MAPK14 Q16539 8/20 0.47
TNKS2 Q9H2K2 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
EGLN1 Q9GZT9 1/20 0.42
PARP1 P09874 2/20 0.41
KIT P10721 2/20 0.40
LCK P06239 2/20 0.40
KDR P35968 2/20 0.40
RARA P10276 1/20 0.40
RXRA P19793 1/20 0.40
RECQL P46063 1/20 0.40
EZH2 Q15910 1/20 0.39
MPL P40238 1/20 0.39
APAF1 O14727 1/20 0.38

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
SCHEMBL9974684 0.86 KDM4E (0.47) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2418742 0.82 MAPK14 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2420478 0.75 GRIK1 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL4603074 0.74 GRIK1 (0.62) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL17403498 0.74 GRIK1 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL21900280 0.73 GRIA1 (0.84) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL22295786 0.72 GRIK1 (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL395863 0.72 MAPK14 (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL394810 0.71 MAPK14 (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL2744390 0.71 GRIK1 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144881-B1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
EP-2144881-A1 ISOQUINOLINONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE ( COPD ) AND ASTHMA AstraZeneca AB (SE) 2010-01-20 EP disclosed
WO-2008122765-A1 NEW COMPOUNDS AND THEIR USES 707 ASTRAZENECA AB (SE) 2008-10-16 WO disclosed