SCHEMBL8905911

SCHEMBL8905911

COC(=O)C1CCc2ccccc2N1C(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ACE P12821 1/20 0.44
MEN1 O00255 2/20 0.42
PDK1 Q15118 6/20 0.41
PDK2 Q15119 6/20 0.41
PDK3 Q15120 6/20 0.41
PDK4 Q16654 6/20 0.41
TSHR P16473 1/20 0.40
MTNR1A P48039 1/20 0.40
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40

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
SCHEMBL5965355 0.84 KMT2A (0.51) KMT2AACEMEN1PDK1PDK2
SCHEMBL27548369 0.84 KMT2A (0.51) KMT2AACEMEN1PDK1PDK2
SCHEMBL5965361 0.84 KMT2A (0.51) KMT2AACEMEN1PDK1PDK2
SCHEMBL29443080 0.81 KMT2A (0.46) KMT2AACEMEN1DRD2DRD4
SCHEMBL21490396 0.81 KMT2A (0.46) KMT2AACEMEN1DRD2DRD4
SCHEMBL6193812 0.79 POLB (0.52) KMT2AACEMEN1TSHR
SCHEMBL17559114 0.78 MTNR1A (0.54) KMT2AACEMEN1TSHRMTNR1A
SCHEMBL27466432 0.78 KMT2A (0.47) KMT2AACEMEN1TSHRMTNR1A
SCHEMBL27483252 0.78 KMT2A (0.47) KMT2AACEMEN1TSHRMTNR1A
SCHEMBL6625409 0.77 KMT2A (0.46) KMT2AACEMEN1TSHRMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 WO disclosed