SCHEMBL8205848

SCHEMBL8205848

O=[N+]([O-])c1ccc(-n2ccnc2)cc1NCCCCO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 2/20 0.54
GSTM2 P28161 1/20 0.47
KAT2B Q92831 1/20 0.40
HTR6 P50406 2/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8203993 0.92 MAPT (0.49) MAPTALDH1A1HTR6MAPK1TDP1
SCHEMBL8139111 0.85 MAPT (0.47) MAPTALDH1A1HTR6MAPK1GAA
SCHEMBL8203184 0.82 BRD4 (0.56) MAPTALDH1A1HTR6
SCHEMBL8201947 0.78 ALDH1A1 (0.45) MAPTALDH1A1GSTM2MAPK1LMNA
SCHEMBL7814569 0.77 LMNA (0.51) MAPTALDH1A1MAPK1LMNA
SCHEMBL27807398 0.75 GRIA1 (0.49) MAPTIDO1LMNA
SCHEMBL29486349 0.74 ENPP2 (0.50) MAPTIDO1LMNA
SCHEMBL14155094 0.73 GSTM2 (0.54) MAPTALDH1A1GSTM2KAT2BMAPK1
SCHEMBL8203750 0.73 GSTM2 (0.54) MAPTALDH1A1GSTM2KAT2BTDP1
SCHEMBL17743378 0.72 GSTM2 (0.54) MAPTALDH1A1GSTM2KAT2BTDP1

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
US-6121264-A GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
EP-0919554-A1 IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-02 EP disclosed