SCHEMBL8043361

SCHEMBL8043361

Cc1c([N+](=O)[O-])cc2c(c1CN1CCC3(CCCCC3)CC1)NC=CN2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTR1A P08908 1/20 0.31
S1PR5 Q9H228 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8038945 0.88 MEN1 (0.40) MEN1KMT2AL3MBTL1MAPK1NPSR1
SCHEMBL8039021 0.77 RAB9A (0.43) MEN1KMT2AMAPT
SCHEMBL7565679 0.77 GRIA1 (0.46)
SCHEMBL8604916 0.75 CFB (0.35) MEN1KMT2AHTR1AS1PR5MAPT
SCHEMBL8043322 0.70 MEN1 (0.38) MEN1KMT2AL3MBTL1MAPK1NPSR1
SCHEMBL8038984 0.68 HTR1A (0.33) HTR1A
SCHEMBL7569263 0.65 GRIA1 (0.50)
SCHEMBL7567546 0.65 GRIA1 (0.50)
SCHEMBL7568799 0.64 GRIA1 (0.51)
SCHEMBL7565366 0.62 GRIA1 (0.44)

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
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed