SCHEMBL6923809

SCHEMBL6923809

c1cc(-c2ccc3c(c2)OCO3)ccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
NISCH Q9Y2I1 1/20 0.53
FYN P06241 1/20 0.52
CHEK1 O14757 1/20 0.52
CDK1 P06493 1/20 0.52
CDK4 P11802 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CDK2 P24941 1/20 0.52
CCND3 P30281 1/20 0.52
KDM4E B2RXH2 4/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL7610152 0.82 NPC1 (0.50) KDM4ELMNAMAPTSMN1; SMN2NPC1
SCHEMBL2692579 0.81 CA12 (0.59) CA12CA2CA9KDM4ELMNA
SCHEMBL22162812 0.81 CA12 (0.58) CA12CA2CA9NISCHKDM4E
SCHEMBL30009937 0.79 PTGS2 (0.66) CA12CA2CA9FYNKDM4E
SCHEMBL404584 0.79 PTGS2 (0.66) CA12CA2CA9FYNKDM4E
SCHEMBL13417238 0.79 NPC1 (0.76) KDM4ELMNAMAPTSMN1; SMN2POLB
SCHEMBL4139025 0.78 KDM4E (0.53) CA12CA2CA9NISCHKDM4E
SCHEMBL567206 0.78 CYP11B1 (0.81) FYNCDK2KDM4ELMNAMAPT
SCHEMBL7759290 0.78 CA12 (0.56) CA12CA2CA9KDM4ELMNA
SCHEMBL14451001 0.78 CA12 (0.56) CA12CA2CA9FYNKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058727-A1 SUBSTITUTED 3,5-DIHYDRO-4H-IMIDAZOL-4-ONES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-07-15 WO disclosed
EP-0459256-B1 Oxazolidinones with CNS-depressant activity MERCK PATENT GMBH (DE) 1995-07-12 EP disclosed
US-5232931-A OXAZOLIDINONES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-08-03 US disclosed
EP-0459256-A1 Oxazolidinones with CNS-depressant activity MERCK PATENT GmbH (DE) 1991-12-04 EP disclosed