SCHEMBL7347889

SCHEMBL7347889

Nc1cc2c(cc1C(F)(F)F)[nH]c(=O)c1n[nH]c(=O)n12

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7414612 0.81 CA12 (0.47) PARP1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7351758 0.79 MEN1 (0.36) PARP1NPSR1RXFP1MEN1KMT2A
SCHEMBL8910771 0.79 NOTUM (0.41) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8912056 0.77 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8911334 0.77 PDE3B (0.40) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8912871 0.77 NOTUM (0.39) NPSR1RXFP1GRIA1GRIA2GRIA3
SCHEMBL8911380 0.77 NOTUM (0.45)
SCHEMBL7347754 0.76 PDE5A (0.50) NPSR1RXFP1MEN1KMT2A
SCHEMBL7413505 0.76 NPSR1 (0.44) NPSR1RXFP1MEN1KMT2A
SCHEMBL8911468 0.76 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633885-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-01-18 EP disclosed
WO-1993006103-A1 TRIAZOLOQUINOXALIN-1,4-DIONES AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-04-01 WO disclosed