SCHEMBL10180097

SCHEMBL10180097

O=C(Oc1cc(F)c(F)c(F)c1F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
SLC6A3 Q01959 1/20 0.47
SERPINE1 P05121 1/20 0.47
MEN1 O00255 4/20 0.46
HSD17B10 Q99714 2/20 0.46
JAK2 O60674 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.45
SLC2A1 P11166 1/20 0.45
SLC2A4 P14672 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL10180340 0.86 KMT2A (0.50) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10180737 0.84 KMT2A (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10179781 0.84 KMT2A (0.55) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL28686055 0.81 KMT2A (0.49) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL31591144 0.80 TSHR (0.48) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL10179685 0.80 KMT2A (0.56) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL1323923 0.79 KMT2A (0.63) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL20156673 0.79 CES2 (0.38) LMNASLC2A1SLC2A4
SCHEMBL10180669 0.79 KMT2A (0.58) KMT2AMAPTSMN1; SMN2ESR1ESR2
SCHEMBL31233825 0.79 SERPINE1 (0.61) MAPTSMN1; SMN2ESR1SERPINE1HSD17B10

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