SCHEMBL2565236

SCHEMBL2565236

NC(=O)c1ccccc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.56
CNR2 P34972 1/20 0.51
JAK2 O60674 2/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
PARP1 P09874 1/20 0.50
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL28090800 0.88 BCAT2 (0.64) BCAT2ALDH1A1MAPK1LMNAPOLB
SCHEMBL6804476 0.87 CNR2 (0.52) CNR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL6880915 0.86 LRRK2 (0.52) BCAT2JAK2JAK1TYK2JAK3
SCHEMBL27476310 0.83 GRM5 (0.50) BCAT2JAK2JAK1TYK2JAK3
SCHEMBL2169026 0.82 CNR2 (0.64) CNR2JAK2ALDH1A1RAB9ACFTR
SCHEMBL31717616 0.81 PARP1 (0.59) BCAT2JAK2PARP1KDM4EALDH1A1
SCHEMBL6126134 0.80 PRKDC (0.56) JAK2JAK1TYK2JAK3KDM4E
Hydrochloric Acid SCHEMBL31717432 0.80 PARP1 (0.58) BCAT2JAK2PARP1KDM4EALDH1A1
SCHEMBL22410906 0.79 AKR1C3 (0.54) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL30706466 0.79 PDK2 (0.50) BCAT2CNR2ALDH1A1MAPK1NPC1

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
EP-4028133-A1 RECEPTOR TYROSINE KINASE INHIBITORS FOR TREATMENT OF PROTEIN KINASE MODULATION-RESPONSIVE DISEASE OR DISORDER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2022-07-20 EP disclosed
EP-2382194-A2 COMPOUNDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASE RESVERLOGIX CORP. (CA) 2011-11-02 EP disclosed