SCHEMBL2018748

SCHEMBL2018748

O=C(c1ccccc1)N(CCl)c1ccc(C=Cc2ccc(N(CCl)C(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
RORC P51449 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
MAOB P27338 2/20 0.41
HDAC1 Q13547 1/20 0.41
SNCA P37840 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.40
PTGIR P43119 1/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
P4HB P07237 1/20 0.40
PLIN1 O60240 1/20 0.40
LMNA P02545 1/20 0.40
BCHE P06276 1/20 0.40
TNFRSF1A P19438 1/20 0.40
ACHE P22303 1/20 0.40

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 0.81 ADRA2C (0.46) ADRA2CTSHRALDH1A1RORCPOLB
SCHEMBL2024095 0.76 NPC1 (0.55) CTDSP1POLBMAPTMEN1KMT2A
SCHEMBL2023949 0.73 TSHR (0.42) ADRA2CTSHRALDH1A1TRPM8MAPT
SCHEMBL1491953 0.73 ADRA2C (0.65) ADRA2CTSHRALDH1A1POLBPTGIR
SCHEMBL2022387 0.71 ADRA2C (0.42) ADRA2CTSHRALDH1A1RELAMAPT
SCHEMBL2025626 0.70 TSHR (0.42) ADRA2CTSHRALDH1A1ACHEMEN1
SCHEMBL14856712 0.69 HDAC1 (0.50) TSHRALDH1A1TRPM8CTDSP1HDAC1
SCHEMBL7751622 0.69 ADRA2C (0.56) ADRA2CTSHRALDH1A1RORCPOLB
SCHEMBL11287043 0.69 ALDH1A1 (0.58) TSHRALDH1A1TRPM8POLBLMNA
SCHEMBL2022652 0.69 TSHR (0.43) ADRA2CTSHRALDH1A1TRPM8MEN1

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