SCHEMBL8030558

SCHEMBL8030558

CCOOCc1ncn2c1CNCc1cc(F)c(F)cc1-2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30

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
SCHEMBL8034707 0.86 GABRG2 (0.36) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL8032282 0.86 GABRG2 (0.34) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL8028809 0.81 GABRG2 (0.35) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL14996197 0.75 GABRG2 (0.49) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL8028116 0.69 GABRG2 (0.32) GABRG2GABRB3
SCHEMBL16215802 0.68 GABRG2 (0.47) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL13002476 0.67 JMJD6 (0.38) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL14996195 0.62 GABRG2 (0.57) GABRG2GABRB3GABRA5MEN1KMT2A
SCHEMBL8035211 0.62
SCHEMBL14996192 0.61 KCNN4 (0.43) MEN1KMT2A

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-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO disclosed