SCHEMBL6367677

SCHEMBL6367677

Cc1nc(-c2ccccc2[N+](=O)[O-])no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
ABCB1 P08183 1/20 0.52
RAB9A P51151 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
S1PR1 P21453 1/20 0.46
HSD17B10 Q99714 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAOB P27338 1/20 0.43
GUSB P08236 1/20 0.43

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
SCHEMBL8112426 0.87 TDP1 (0.51) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL20225769 0.83 S1PR1 (0.48) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL10553914 0.81 MAPT (0.49) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL11477671 0.80 RAB9A (0.61) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL2213043 0.78 MAPT (0.44) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL6367373 0.75 MAPT (0.59) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL10552543 0.75 MAPT (0.46) MAPTALDH1A1KMT2ANPC1ABCB1
SCHEMBL12660084 0.74 NPC1 (0.62) MAPTKMT2ANPC1RAB9AMAPK1
SCHEMBL5569675 0.73 MAPT (0.57) MAPTALDH1A1NPC1RAB9AMAPK1
SCHEMBL2213047 0.73 ALDH1A1 (0.60) MAPTALDH1A1KMT2ANPC1ABCB1

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-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed