SCHEMBL2019832

SCHEMBL2019832

COc1cc(N=Nc2ccc(N(CCl)C(=O)c3ccccc3)cc2)c(C)cc1N(CCl)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TP53 P04637 3/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.35
MYC P01106 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.34
MCHR1 Q99705 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL2024823 0.79 ADRA2C (0.46) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL2022652 0.72 TSHR (0.43) TSHRMEN1KMT2AL3MBTL1NPSR1
SCHEMBL2022506 0.72 RORC (0.43) TSHRTP53MEN1KMT2AMAPT
SCHEMBL2023949 0.72 TSHR (0.42) TSHRMEN1KMT2AMAPTNPSR1
SCHEMBL2022475 0.67 TSHR (0.39) TSHRTP53MEN1KMT2AMAPT
SCHEMBL2024403 0.66 ALDH1A1 (0.43) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL1170887 0.65 MAPT (0.45) TSHRTP53MEN1KMT2AMAPT
SCHEMBL28336568 0.65 MEN1 (0.53) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL17751325 0.64 L3MBTL1 (0.47) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL12532710 0.64 L3MBTL1 (0.47) MEN1KMT2AMAPTL3MBTL1GAA

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
US-8519040-B2 Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-08-27 US disclosed
US-20110178218-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Avanced Industrial Science and Technology (JP) 2011-07-21 US disclosed
EP-2330143-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Advanced Industrial Science And Technology (JP) 2011-06-08 EP disclosed