SCHEMBL11252609

SCHEMBL11252609

CCOC(=O)Cc1cccc2c(-c3ccc(NC)cc3)nccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
MAPT P10636 6/20 0.39
TBXAS1 P24557 1/20 0.39
POLB P06746 2/20 0.39
SYK P43405 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
AHR P35869 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL11251095 0.89 ALDH1A1 (0.47) PKMMAPTTBXAS1POLBGAA
SCHEMBL11253180 0.87 GAA (0.49) PKMMAPTTBXAS1MAPK1GAA
SCHEMBL11258774 0.86 PKM (0.41) PKMMAPTTBXAS1POLBGAA
SCHEMBL11259158 0.85 TDP1 (0.42) MAPTPOLBKDM4ELMNATDP1
SCHEMBL11257859 0.84 JAK2 (0.41) PKMMAPTTBXAS1POLBMAPK1
SCHEMBL11499255 0.84 GAA (0.46) PKMMAPTTBXAS1GAAALDH1A1
SCHEMBL11248521 0.83 RAB9A (0.46) MAPTMAPK1GAAALDH1A1KDM4E
SCHEMBL11253776 0.77 ROS1 (0.41) MAPTMAPK1GAAALDH1A1KDM4E
SCHEMBL11266566 0.77 KDR (0.40) MAPTPOLBMAPK1ALDH1A1KDM4E
SCHEMBL11257116 0.75 KMT2A (0.39) POLBALDH1A1MEN1KMT2ALMNA

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-4337256-A ANTIINFLAMMATORY AGENTS; ANTIAGGLOMERANTS; ENZYME INHIBITORS; ANTIULCER AGENTS TEIKOKU HORMONE MANUFACTURING CO., LTD. (JP) 1982-06-29 US disclosed
EP-0013411-A1 Isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them TEIKOKU HORMONE MFG. CO., LTD. (JP) 1980-07-23 EP disclosed