SCHEMBL2023949

SCHEMBL2023949

Cc1cc(N(CCl)C(=O)c2ccccc2)ccc1N(CCl)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ADRA2C P18825 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
JAK2 O60674 1/20 0.37
PAX8 Q06710 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
SCHEMBL2024403 0.87 ALDH1A1 (0.43) TSHRALDH1A1KMT2AHTTMAPT
SCHEMBL2022652 0.86 TSHR (0.43) TSHRALDH1A1KMT2AHTTHPGD
SCHEMBL2022475 0.80 TSHR (0.39) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL2023840 0.76 HPGD (0.42) TSHRALDH1A1KMT2AMAPTHPGD
SCHEMBL2025626 0.75 TSHR (0.42) TSHRALDH1A1KMT2AHPGDMEN1
SCHEMBL11209901 0.74 NPSR1 (0.46) TSHRALDH1A1KMT2AHTTHPGD
SCHEMBL2022387 0.73 ADRA2C (0.42) TSHRALDH1A1KMT2AHTTMAPT
SCHEMBL2018748 0.73 ADRA2C (0.46) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL2024823 0.73 ADRA2C (0.46) TSHRALDH1A1KMT2AHTTMAPT
SCHEMBL2022506 0.72 RORC (0.43) TSHRALDH1A1KMT2AHTTMAPT

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