SCHEMBL7008755

SCHEMBL7008755

COc1ccc2cnn(C(C)CNC(=O)OCc3ccccc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
ACHE P22303 4/20 0.46
ATM Q13315 2/20 0.44
TACR3 P29371 1/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HPGDS O60760 1/20 0.43
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
KMO O15229 1/20 0.43
KCNQ2 O43526 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
BRD4 O60885 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL7009702 0.90 KMO (0.44) ATMMAPTLMNACTSLCTSS
SCHEMBL7008147 0.81 CA1 (0.48) CA1CA2ACHEATMTACR3
SCHEMBL6359649 0.79 HTR2A (0.54) CA1CA2ACHEATMTACR3
SCHEMBL5796714 0.77 MAPK1 (0.38) ATMMAPTLMNACTSLCTSS
SCHEMBL6255179 0.77 MAPK1 (0.38) ATMMAPTLMNACTSLCTSS
SCHEMBL6257465 0.76 MAPK1 (0.39) CA1CA2ATMMAPTLMNA
SCHEMBL6252719 0.76 MAPK1 (0.39) CA1CA2ATMMAPTLMNA
SCHEMBL4793492 0.75 HDAC8 (0.43) ATMCTSLCTSSCTSKHDAC8
SCHEMBL6254005 0.75 ATM (0.41) ATMMAPTLMNACTSLCTSS
SCHEMBL6250919 0.74 ATM (0.41) ATMMAPTLMNACTSLCTSS

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-1268438-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon, Inc (CH) 2003-01-02 EP disclosed
WO-2001070702-A1 6-HYDROXY-INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed