SCHEMBL8038945

SCHEMBL8038945

Cc1c([N+](=O)[O-])cc2c(c1CN1CCCC1)NC=CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNG1 Q06432 1/20 0.35
CACNB2 Q08289 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
SCHEMBL8043361 0.88 MEN1 (0.33) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL8039021 0.83 RAB9A (0.43) MEN1KMT2AMAPTRAB9ATDP1
SCHEMBL7568799 0.72 GRIA1 (0.51)
SCHEMBL7567546 0.71 GRIA1 (0.50)
SCHEMBL7569263 0.71 GRIA1 (0.50)
SCHEMBL7574943 0.67 MEN1 (0.44) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL8037120 0.64 MEN1 (0.47) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL6688963 0.64 CYP3A4 (0.46) MEN1KMT2AMAPTMAPK1NPSR1
SCHEMBL21383091 0.63 L3MBTL1 (0.63) MEN1KMT2AL3MBTL1MAPTMAPK1
SCHEMBL14941907 0.63 L3MBTL1 (0.60) MEN1KMT2AL3MBTL1MAPTMAPK1

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