SCHEMBL780394

SCHEMBL780394

Cc1ccc(S(=O)(=O)O)c(-c2ccc(F)cc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
DHODH Q02127 1/20 0.40
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
NFE2L2 Q16236 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PKM P14618 1/20 0.37
KMO O15229 2/20 0.36
KAT6A Q92794 1/20 0.36
AKR1C3 P42330 1/20 0.36
ELANE P08246 1/20 0.36
RORC P51449 1/20 0.36
TET2 Q6N021 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL779008 0.83 MAOA (0.34) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL780160 0.83 ELANE (0.44) ALDH1A1HPGDDHODHKAT6AELANE
SCHEMBL778954 0.81 PTGS2 (0.42) MEN1KMT2APTGS1PTGS2
SCHEMBL778995 0.79 FABP4 (0.42) FABP4FABP5NFE2L2
SCHEMBL28689298 0.78 PTGS2 (0.45) ALDH1A1MEN1KMT2ADHODHMAOB
SCHEMBL778648 0.78 MAOA (0.35) ALDH1A1MEN1KMT2AHPGDMAOA
SCHEMBL13674310 0.77 NFE2L2 (0.50) ALDH1A1MEN1KMT2ATHRBHPGD
SCHEMBL776571 0.77 MAPT (0.44) ALDH1A1MEN1KMT2ATHRBHPGD
SCHEMBL776844 0.77 SLC9A1 (0.39) ALDH1A1HPGDDHODHKAT6AELANE
SCHEMBL2236899 0.77 KDM4E (0.46) ALDH1A1MEN1KMT2AHPGDDHODH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108239077-A A kind of novel preparation method of posaconazole and its intermediate 昆明积大制药股份有限公司 2018-07-03 CN disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
US-20090325065-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-31 US disclosed