SCHEMBL7366723

SCHEMBL7366723

NCC(O)COc1ccccc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.71
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
ALOX15 P16050 1/20 0.54
NR2E1 Q9Y466 1/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 2/20 0.53
MAPT P10636 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53
MEN1 O00255 1/20 0.51
KCNH2 Q12809 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
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
SCHEMBL29742389 0.86 L3MBTL1 (0.68) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL6859005 0.86 L3MBTL1 (0.68) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL7447113 0.85 L3MBTL1 (0.67) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL2474599 0.84 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL15709049 0.83 L3MBTL1 (1.00) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL20682737 0.83 L3MBTL1 (1.00) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL27520599 0.82 L3MBTL1 (0.64) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL10453566 0.81 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL30196559 0.81 L3MBTL1 (0.62) L3MBTL1RAB9ANPC1RECQLKMT2A
SCHEMBL11665102 0.81 L3MBTL1 (0.49) L3MBTL1KMT2AALDH1A1KDM4EHTT

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
EP-0741705-A1 4-(2-(3-ARYLOXY-2-HYDROXYPROPYLAMINO ALKYLOXY)-5-NITROPHENYL)-1,4-DIHYDROPYRIDINES AS ANTIHYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
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
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed