SCHEMBL19687574

SCHEMBL19687574

Cc1cc(Cn2c(C#N)cc3c(C)c(C)ccc32)no1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 3/20 0.40
GABRA5 P31644 2/20 0.39
GABRA1 P14867 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
GRIN2B Q13224 12/20 0.37
GRIN1 Q05586 9/20 0.37
FEN1 P39748 1/20 0.36
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL19687588 0.81 PARG (0.40) PARGFEN1
SCHEMBL19687582 0.81 PARG (0.35) PARGGRIN2BGRIN1
SCHEMBL19687589 0.79 PARG (0.35) PARGGRIN2BGRIN1
SCHEMBL19687592 0.79 KCNH2 (0.39) PARGGRIN2BGRIN1
SCHEMBL19687584 0.78 PARG (0.39) PARG
SCHEMBL19687595 0.74 MEN1 (0.45) PARGGRIN2BGRIN1
SCHEMBL19687586 0.72 MEN1 (0.46) MAPT
SCHEMBL19687576 0.72 RAB9A (0.35)
SCHEMBL19687598 0.72 RAB9A (0.35) MAPT
SCHEMBL19687594 0.72 ESR1 (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed