SCHEMBL10180775

SCHEMBL10180775

CCCCCc1ccc(OS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
HTT P42858 1/20 0.55
CA2 P00918 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 2/20 0.44
MEN1 O00255 1/20 0.44
KCNH2 Q12809 1/20 0.44
MGLL Q99685 2/20 0.44
STS P08842 1/20 0.44
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
THRA P10827 1/20 0.43

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
SCHEMBL10179654 0.87 KMT2A (0.57) KMT2AHTTCA2ALDH1A1HPGD
SCHEMBL10180787 0.86 KMT2A (0.59) KMT2AHTTCA2MGLLCA1
SCHEMBL10181464 0.84 CA2 (0.54) KMT2ACA2ALDH1A1THRBMEN1
SCHEMBL16394874 0.82 CA2 (0.46) KMT2ACA2ALDH1A1HPGDMEN1
SCHEMBL10180116 0.81 CA2 (0.51) CA2ALDH1A1THRBSTSCA1
SCHEMBL10180729 0.81 TDP1 (0.53) CA2ALDH1A1THRBSTSCA1
SCHEMBL9647425 0.80 CA2 (0.50) KMT2ACA2ALDH1A1THRBMEN1
SCHEMBL6231372 0.80 CA2 (0.50) CA2ALDH1A1THRBSTSCA1
SCHEMBL10181497 0.80 HTT (0.49) KMT2AHTTCA2ALDH1A1THRB
SCHEMBL5265636 0.79 CA2 (0.56) KMT2ACA2ALDH1A1THRBMEN1

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-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed