SCHEMBL7960099

SCHEMBL7960099

CNCc1c(C)c([N+](=O)[O-])cc2nc(OC)c(OC)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
POLB P06746 3/20 0.38
GALR2 O43603 1/20 0.38
MAPT P10636 3/20 0.34
HTT P42858 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
PGK1 P00558 1/20 0.33
GRM6 O15303 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
RECQL P46063 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL7961913 0.85 ALDH1A1 (0.35) LMNAPOLBGALR2HTTALDH1A1
SCHEMBL7960036 0.81 ALDH1A1 (0.40) LMNAPOLBGALR2MAPTHTT
SCHEMBL27395257 0.78 MAPT (0.38) LMNAPOLBGALR2MAPTHTT
SCHEMBL7598494 0.77 KMT2A (0.38) LMNAPOLBGALR2MAPTALDH1A1
SCHEMBL7592279 0.76 SMN1; SMN2 (0.38) LMNAPOLBGALR2MAPTHTT
SCHEMBL7593494 0.74 TPMT (0.41) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL7596330 0.73 LMNA (0.36) LMNAPOLBGALR2MAPTHTT
SCHEMBL7596324 0.72 KMT2A (0.46) LMNAPOLBGALR2HTTALDH1A1
SCHEMBL7594981 0.72 SMN1; SMN2 (0.47) LMNAPOLBHTTALDH1A1GAA
SCHEMBL7593978 0.71 IMPDH2 (0.39) LMNAMAPTHTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO claimed
US-6172065-B1 CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2001-01-09 US disclosed
WO-1998023599-A1 UREA AND THIOUREA DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-06-04 WO disclosed