SCHEMBL6575840

SCHEMBL6575840

CCOC(=O)COc1ccc([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.57
MAPT P10636 6/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 4/20 0.53
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
S1PR4 O95977 1/20 0.48
ITGA4 P13612 1/20 0.48
S1PR1 P21453 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
TLR9 Q9NR96 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
SCHEMBL13215153 0.87 POLB (0.57) MAPTKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL7476491 0.86 PTGDR2 (0.64) CYP19A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6573349 0.86 PTGDR2 (0.64) CYP19A1MAPTMEN1KMT2ASMN1; SMN2
Bicarbonate SCHEMBL5503301 0.84 CYP19A1 (0.65) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL371728 0.84 MEN1 (0.70) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL31418722 0.84 MEN1 (0.70) CYP19A1MAPTMEN1KMT2ACYP11B1
SCHEMBL3536740 0.83 ALDH1A1 (0.60) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL20042055 0.83 ALDH1A1 (0.55) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL7914606 0.82 NPC1 (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL13215072 0.81 KDM4E (0.52) CYP19A1MAPTLMNAPOLBSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
CN-1134410-C Amine derivatives, process for their preparation and their use as antiarrhythmic agents �й�ʯ����������ʯ�ͻ����������ι� 2004-01-14 CN disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
CN-1169141-A Novel amine derivatives, process for their preparation and their use as antiarrhythmic agents C & C RESEARCH LABS (KR) 1997-12-31 CN disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 EP disclosed