SCHEMBL2022506

SCHEMBL2022506

COc1cc(-c2ccc(N(CCl)C(=O)c3ccccc3)c(OC)c2)ccc1N(CCl)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
TP53 P04637 1/20 0.43
MCHR1 Q99705 1/20 0.42
HTT P42858 1/20 0.41
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
PDE4D Q08499 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
RECQL P46063 1/20 0.39
CASP6 P55212 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL2024403 0.82 ALDH1A1 (0.43) HTTTSHRMEN1KMT2AHPGD
SCHEMBL2021721 0.76 TSPO (0.43) PTGESALOX5
SCHEMBL2022652 0.75 TSHR (0.43) HTTTSHRMEN1KMT2AHPGD
SCHEMBL2025626 0.73 TSHR (0.42) TP53TSHRMEN1KMT2AHPGD
SCHEMBL2023949 0.72 TSHR (0.42) HTTTSHRMEN1KMT2AHPGD
SCHEMBL2019832 0.72 TSHR (0.39) TP53MCHR1HTTTSHRMEN1
SCHEMBL2023840 0.71 HPGD (0.42) TSHRMEN1KMT2AHPGDMAPT
SCHEMBL1720515 0.70 KDM4E (0.43) TSHRMEN1KMT2APDE4DPDE4A
SCHEMBL9140139 0.70 ALDH1A1 (0.42) HTTTSHRMEN1KMT2APOLB
SCHEMBL2022475 0.69 TSHR (0.39) TP53TSHRMEN1KMT2AMAPT

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