SCHEMBL8569607

SCHEMBL8569607

COc1ccc(OCC(N)=O)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 7/20 0.55
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
HPGD P15428 3/20 0.55
MAPK1 P28482 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.50
KCNMA1 Q12791 1/20 0.48

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
SCHEMBL8568719 0.89 ALDH1A1 (0.49) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL2698893 0.87 MEN1 (0.61) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL182622 0.83 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6983747 0.82 ALDH1A1 (0.67) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL8562291 0.81 ALDH1A1 (0.55) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11842385 0.81 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5359165 0.80 KMT2A (0.51) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11380309 0.80 KDM4E (0.63) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL12312149 0.80 RAB9A (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL7682008 0.80 MAPT (0.55) RAB9ANPC1MAPTALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed