SCHEMBL2023840

SCHEMBL2023840

Cc1cc(-c2cc(C)c(N(CCl)C(=O)c3ccccc3)c(C)c2)cc(C)c1N(CCl)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
ADRA2C P18825 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPK1 P28482 1/20 0.39
GSK3B P49841 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
GAA P10253 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
SCHEMBL11209901 0.89 NPSR1 (0.46) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL2022387 0.85 ADRA2C (0.42) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL2024403 0.83 ALDH1A1 (0.43) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL2022652 0.82 TSHR (0.43) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL11213487 0.77 TP53 (0.50) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL2022475 0.76 TSHR (0.39) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL2023949 0.76 TSHR (0.42) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL2025626 0.73 TSHR (0.42) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL2022506 0.71 RORC (0.43) HPGDALDH1A1MAPTKMT2AMEN1
SCHEMBL10391679 0.71 NPSR1 (0.48) HPGDALDH1A1KMT2AMEN1TSHR

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