SCHEMBL436604

SCHEMBL436604

Cc1ccccc1-n1cnnn1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KMT2A Q03164 4/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
NOTUM Q6P988 2/20 0.53
CPB1 P15086 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44

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
Fluoride SCHEMBL28811107 0.98 ALDH1A1 (0.56) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL12615992 0.85 ALDH1A1 (0.68) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL18378771 0.85 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL15786407 0.77 KMT2A (0.66) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL17518817 0.77 KMT2A (0.61) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL16144650 0.77 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2AKDM4ENOTUM
SCHEMBL8540440 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL14242848 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL5549180 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E
SCHEMBL30084182 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2AMAPTKDM4E

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200562-B1 DENTAL COMPOSITION FOR DETECTING BACTERIA, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES CO (US) 2014-04-23 EP claimed
EP-1294922-B1 TREATING CANCER USING ORGANELLE CRYSTALLIZING AGENTS KONG QINGZHONG (CN) 2010-04-14 EP claimed
US-7524872-B2 Method and composition for treating cancer using cellular organelle crystallizing agents KONG QINGZHONG 2009-04-28 US claimed
US-20080166753-A1 Microbial Growth Assay UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2008-07-10 US claimed
US-20060286170-A1 Method and composition for treating cancer using cellular organelle crystallizing agents KONG QINGZHONG 2006-12-21 US claimed
US-7102011-B2 Methods and compositions for the visualization of cellular organelles using tetrazolium salts KONG QINGZHONG 2006-09-05 US claimed
WO-2005098023-A1 MICROBIAL GROWTH ASSAY UNIVERSITY TECHNOLOGIES INTERNATIONAL INC. (CA) 2005-10-20 WO claimed
US-6864272-B2 Method and composition for treating cancer using cellular organelle crystallizing agents KONG QINGZHONG (US) 2005-03-08 US claimed
US-6703216-B2 AN OXIDIZED COFACTOR FOR THE FIRST OXIDOREDUCTASE THAT IS REDUCED UPON OXIDATION OF GHB BY THE FIRST OXIDOREDUCTASE IS IN TURN OXIDIZED BY ANOTHER OXIDOREDUCTASE CAUSING DETECTABLE CONVERSION OF CHROMOGEN OR DYE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-03-09 US claimed
US-20030175846-A1 Methods, compositions and apparatuses for detection of gamma-hydroxybutyric acid (GHB) REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-09-18 US claimed
EP-1294922-A2 METHOD FOR TREATING CANCER, VISUALIZING CELL STRUCTURES, AND ISOLATING ORGANELLES USING ORGANELLE CRYSTALLIZING AGENTS Kong, Qingzhong (US) 2003-03-26 EP claimed
US-20020143042-A1 Method and composition for treating cancer using cellular organelle crystallizing agents KONG QINGZHONG (US) 2002-10-03 US claimed
US-20020086345-A1 Methods and compositions for the visualization of cellular organelles using tetrazolium salts KONG QINGZHONG (US) 2002-07-04 US claimed
US-6376525-B1 Tetrazolium salts and derivatives, preferably tetrazolium red and tetrazolium violet, in combination with chemotherapeutic agents delivered in a polylactic acid carrier; noninvasive antitumor treatments KONG QINGZHONG (US) 2002-04-23 US claimed
US-6368818-B1 VISUAL AIDS AND CANCER TREATMENT KONG QINGZHONG (US) 2002-04-09 US claimed
WO-2001082780-A2 METHOD FOR TREATING CANCER, VISUALIZING CELL STRUCTURES, AND ISOLATING ORGANELLES USING ORGANELLE CRYSTALLIZING AGENTS KONG QINGZHONG (US) 2001-11-08 WO claimed
EP-0971037-A2 Stable reagent for formazan-based assay Kirkegaard & Perry Laboratories, Inc. (US) 2000-01-12 EP claimed
US-4892817-A INDOXYL PHOSPHATE, TETRAZOLIUM SALT, AND WATER SOLUBLE FERRICYANIDE FERROCYANIDE SALT BIOGENEX LABORATORIES (US) 1990-01-09 US claimed
EP-2928891-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed