SCHEMBL2022652

SCHEMBL2022652

Cc1cc(N(CCl)C(=O)c2ccccc2)c(C)cc1N(CCl)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ADRA2C P18825 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 1/20 0.40
TRPA1 O75762 1/20 0.40
MAPK1 P28482 1/20 0.40
GSK3B P49841 1/20 0.40
HIF1A Q16665 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2022475 0.93 TSHR (0.39) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL2024403 0.88 ALDH1A1 (0.43) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL2023949 0.86 TSHR (0.42) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL2023840 0.82 HPGD (0.42) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL2025626 0.81 TSHR (0.42) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL11209901 0.80 NPSR1 (0.46) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL2022387 0.79 ADRA2C (0.42) TSHRKMT2AMEN1ADRA2CALDH1A1
SCHEMBL2022506 0.75 RORC (0.43) TSHRKMT2AMEN1ALDH1A1HPGD
SCHEMBL11213487 0.72 TP53 (0.50) KMT2AMEN1ADRA2CALDH1A1NPSR1
SCHEMBL11670709 0.71 TSHR (0.71) TSHRKMT2AMEN1ALDH1A1NPSR1

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