SCHEMBL8203993

SCHEMBL8203993

O=[N+]([O-])c1ccc(-n2ccnc2)cc1NCCO

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ALDH1A1 P00352 3/20 0.49
IGF1R P08069 1/20 0.43
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 2/20 0.40

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
SCHEMBL8205848 0.92 MAPT (0.54) MAPTALDH1A1TDP1MAPK1HTR6
SCHEMBL8139111 0.88 MAPT (0.47) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL7814569 0.79 LMNA (0.51) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL8203184 0.79 BRD4 (0.56) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27807398 0.78 GRIA1 (0.49) MAPTTSHRMEN1KMT2A
SCHEMBL29486349 0.77 ENPP2 (0.50) MAPTPKM
SCHEMBL2467753 0.75 ALDH1A1 (0.56) MAPTALDH1A1RAB9ATSHRTDP1
SCHEMBL20536197 0.74 CYP19A1 (0.52) MAPT
SCHEMBL17630137 0.74 GRIA1 (0.46) MAPTTSHRMEN1KMT2A
SCHEMBL1839319 0.74 HPGD (0.51) MAPT

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