SCHEMBL7941772

SCHEMBL7941772

O=C1CN(c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
PMM2 O15305 1/20 0.40
MPI P34949 1/20 0.40
PHOSPHO1 Q8TCT1 1/20 0.40
HTT P42858 2/20 0.38
MITF O75030 1/20 0.37
MAPK1 P28482 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL7949718 0.83 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL4548125 0.73 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL9736258 0.72 MAPT (0.50) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL11183526 0.71 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL10426398 0.71 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPTMGLL
SCHEMBL9736266 0.71 ALDH1A1 (0.63) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL29510718 0.71 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL22493009 0.71 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL3957049 0.69 SMN1; SMN2 (0.50) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL3435526 0.69 HTT (0.46) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2

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
US-6268496-B1 GAMMA-AMINOBUTYRIC ACID RECEPTOR LIGANDS NEUROGEN CORPORATION 2001-07-31 US disclosed
EP-0555391-B1 CERTAIN IMIDAZOQUINOXALINES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2000-07-12 EP disclosed
US-5744602-A PSYCHOLOGICAL DISORDERS, ANTICONVULSANTS NEUROGEN CORPORATION (US) 1998-04-28 US disclosed