SCHEMBL11250486

SCHEMBL11250486

N#CCc1cccc2c(-c3ccccc3Cl)nccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
KCNA5 P22460 3/20 0.42
LRRK2 Q5S007 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CRHR1 P34998 1/20 0.35
MAPK14 Q16539 1/20 0.34
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
GRIA1 P42261 1/20 0.34
CACNG8 Q8WXS5 1/20 0.34
SCN9A Q15858 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP17A1 P05093 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11255619 0.83 LMNA (0.36) LRRK2SMN1; SMN2SCN9ACYP17A1LMNA
SCHEMBL11263093 0.81 TDO2 (0.41) KCNA5L3MBTL1LMNAMAPTHPGD
SCHEMBL11248931 0.81 TDO2 (0.44) CRHR1GRIA1CACNG8LMNAHPGD
SCHEMBL11262924 0.80 HPGD (0.36) L3MBTL1LMNAPOLBMAPTHPGD
SCHEMBL11258381 0.78 TDP1 (0.48) DPP4KCNA5MAPTNR4A2
SCHEMBL10392251 0.77 CYP2A6 (0.52) DPP4GRIA1CACNG8POLBMAPT
SCHEMBL11251011 0.75 BCHE (0.44) SMN1; SMN2MAPK14CYP17A1GAABCHE
SCHEMBL11261674 0.75 TDO2 (0.36) SMN1; SMN2GPR84NPSR1
SCHEMBL11253084 0.75 ALDH1A1 (0.36) SMN1; SMN2L3MBTL1LMNAPOLBMAPT
SCHEMBL21617927 0.73 ALDH1A1 (0.45) SMN1; SMN2GRIA1CACNG8MAPTHPGD

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