SCHEMBL7978010

SCHEMBL7978010

C#CCN1C(=O)COc2ccc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)nc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TERT O14746 1/20 0.32
WEE1 P30291 1/20 0.31
BRD4 O60885 1/20 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
SCHEMBL7980627 0.88
SCHEMBL7977886 0.88 SLC5A1 (0.36) DRD2DRD3TERTWEE1BRD4
SCHEMBL7977926 0.84 TERT (0.35) DRD2DRD3TERT
SCHEMBL12981165 0.81 PIK3CG (0.36) BRD4
SCHEMBL7964390 0.81 TERT (0.33) TERT
SCHEMBL7977938 0.80 ALDH1A1 (0.33) TERT
SCHEMBL7977825 0.78 DRD2 (0.33) DRD2DRD3
SCHEMBL39263 0.77 CHRM1 (0.35) BRD4
SCHEMBL9478242 0.77 KMO (0.32) BRD4
SCHEMBL7977920 0.73 NR3C2 (0.45)

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-2001030782-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-05-03 WO disclosed