SCHEMBL8103012

SCHEMBL8103012

CN1CCc2c(-c3ccc(Cl)cc3)cc3c(c2C1)NC(=O)/C3=N\O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
MAPT P10636 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCHR1 Q99705 2/20 0.36
TP53 P04637 1/20 0.35
LRRK2 Q5S007 2/20 0.34
MAPK14 Q16539 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
DRD3 P35462 2/20 0.32
HTR6 P50406 2/20 0.32

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
SCHEMBL7357256 1.00 MEN1 (0.38) MEN1KMT2AGRIA1GRIA2GRIA3
SCHEMBL4367402 0.91 MAPK14 (0.35) MEN1KMT2ATP53LRRK2MAPK14
SCHEMBL4375379 0.89 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MCHR1
SCHEMBL4375384 0.89 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MCHR1
SCHEMBL13592447 0.89 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GAA
SCHEMBL13592439 0.89 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4GAA
SCHEMBL4373619 0.89 GRIA1 (0.37) MEN1KMT2AGRIA1GRIA2GRIA3
SCHEMBL4373620 0.89 GRIA1 (0.37) MEN1KMT2AGRIA1GRIA2GRIA3
SCHEMBL14287073 0.89 PGR (0.37) MEN1KMT2AGRIA1GRIA2GRIA3
SCHEMBL14287096 0.89 ALOX15 (0.40) MEN1KMT2AMAPTGAAKDM4E

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-0781284-B1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
EP-0698025-B1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH AS (DK) 1997-12-17 EP disclosed