SCHEMBL7447113

SCHEMBL7447113

O=[N+]([O-])c1ccccc1OCC(O)C[AsH2]

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
RECQL P46063 1/20 0.58
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 6/20 0.55
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 2/20 0.46
AGTR1 P30556 1/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6859005 0.92 L3MBTL1 (0.68) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL29742389 0.92 L3MBTL1 (0.68) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL7366723 0.85 L3MBTL1 (0.71) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL27520599 0.82 L3MBTL1 (0.64) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL2474599 0.81 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL30196559 0.81 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL10453566 0.81 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL20682737 0.80 L3MBTL1 (1.00) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL15709049 0.80 L3MBTL1 (1.00) L3MBTL1RAB9ANPC1RECQLKMT2A
Ammonia Solution, Strong SCHEMBL28331190 0.80 L3MBTL1 (0.60) L3MBTL1RAB9ANPC1RECQLKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995020576-A1 4-(2-(3-ARYLOXY-2-HYDROXYPROPYLAMINO ALKYLOXY)-5-NITROPHENYL)-1,4-DIHYDROPYRIDINES AS ANTIHYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-03 WO disclosed