SCHEMBL4660869

SCHEMBL4660869

O=C(O)Cc1c(-c2ccccc2)c(=O)[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
PIM1 P11309 1/20 0.60
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 2/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
EGFR P00533 2/20 0.57
HPGD P15428 1/20 0.50
PDE9A O76083 1/20 0.49
MAP2 P11137 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8923670 0.84 KDM4E (0.55) MAPTPIM1KDM4E
SCHEMBL5211637 0.82 ALDH1A1 (0.68) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL6702846 0.78 KDM4E (0.68) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL14485203 0.77 KDM4E (0.65) MAPTPIM1KDM4EALDH1A1GAA
SCHEMBL31146266 0.77 KDM4E (0.65) MAPTPIM1KDM4EALDH1A1GAA
SCHEMBL28132803 0.77 MAPT (0.71) MAPTKDM4EALDH1A1GAAEGFR
SCHEMBL4660958 0.77 KDM4E (0.60) MAPTPIM1KDM4EALDH1A1GAA
SCHEMBL3743399 0.76 KDM4E (0.70) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL4468686 0.76 KDM4E (0.68) MAPTKDM4EALDH1A1GAACASP1
SCHEMBL4455323 0.76 MAPT (1.00) MAPTKDM4EALDH1A1PDE9A

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-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 WO disclosed