SCHEMBL10180654

SCHEMBL10180654

O=C(Oc1cc(F)cc(F)c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.58
MAPT P10636 4/20 0.58
MEN1 O00255 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
PARP10 Q53GL7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
NSD2 O96028 1/20 0.49
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 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
SCHEMBL27645371 0.88 MAPT (0.50) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL27645394 0.87 PARP10 (0.61) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2755026 0.86 KMT2A (0.68) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL6643945 0.85 ESR1 (0.69) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL10179685 0.83 KMT2A (0.56) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL2464842 0.82 KMT2A (0.65) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL17431972 0.80 KMT2A (0.53) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL28777485 0.80 KMT2A (0.75) KMT2AMAPTALDH1A1LMNAATM
SCHEMBL21432096 0.80 ESR1 (0.61) KMT2AMAPTMEN1TDP1PARP10
SCHEMBL7054661 0.80 KMT2A (0.63) KMT2AMAPTMEN1TDP1PARP10

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 5 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
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed