SCHEMBL10180737

SCHEMBL10180737

O=C(Oc1cc(F)c(F)cc1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
SLC6A3 Q01959 1/20 0.49
SERPINE1 P05121 1/20 0.49
MEN1 O00255 4/20 0.47
JAK2 O60674 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL10180097 0.84 KMT2A (0.53) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10181125 0.82 KMT2A (0.56) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10180883 0.82 KMT2A (0.56) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL1323923 0.81 KMT2A (0.63) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL4332746 0.81 KMT2A (0.50) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL2060064 0.80 KMT2A (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL4343990 0.80 KMT2A (0.49) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL27921426 0.78 ESR1 (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10179781 0.78 KMT2A (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL31591144 0.78 TSHR (0.48) KMT2AMAPTSMN1; SMN2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
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