SCHEMBL6573968

SCHEMBL6573968

COc1cc(CCO)c([N+](=O)[O-])cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP3A4 P08684 3/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
PRKDC P78527 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CHEK1 O14757 1/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 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
SCHEMBL15264785 0.90 RAB9A (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL29976361 0.86 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL67755 0.86 RAB9A (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL6858339 0.84 CTSD (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL7758095 0.84 ALDH1A1 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL6858345 0.83 HTT (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL18995456 0.83 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL3449783 0.83 TAAR1 (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL9250162 0.83 RAB9A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL124590 0.82 ALDH1A1 (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013158268-A1 PHOTOACTIVATABLE CAGED TAMOXIFEN AND TAMOXIFEN DERIVATIVE MOLECULES AND METHODS OF USE THEREOF LU XIN (US) 2013-10-24 WO disclosed
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
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
EP-0797580-B1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2002-04-10 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
US-5763599-A FOR LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON DNA CHIP Pfleiderer, Wolfgang (DE) 1998-06-09 US disclosed
EP-0797580-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1997-10-01 EP 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
WO-1996018634-A2 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1996-06-20 WO disclosed