SCHEMBL17935735

SCHEMBL17935735

N#CCC(CC#N)c1ccc(C(CC#N)CC#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.57
ESR2 Q92731 6/20 0.57
PBRM1 Q86U86 1/20 0.37
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8764025 0.90 ESR1 (0.50) ESR1ESR2PBRM1MEN1ALDH1A1
SCHEMBL11089612 0.88 ESR1 (0.48) ESR1ESR2PBRM1
SCHEMBL11079957 0.88 ESR1 (0.48) ESR1ESR2PBRM1ALDH1A1
SCHEMBL28409824 0.88 ESR1 (0.75) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL11078905 0.88 ESR1 (0.48) ESR1ESR2MEN1ALDH1A1CYP1A2
SCHEMBL11079683 0.88 ESR1 (0.48) ESR1ESR2PBRM1ALDH1A1CYP1A2
SCHEMBL11084525 0.88 ESR1 (0.48) ESR1ESR2ALDH1A1
SCHEMBL7007862 0.87 ESR1 (0.47) ESR1ESR2PBRM1MEN1CYP1A2
SCHEMBL11073128 0.84 ESR1 (0.55) ESR1ESR2PBRM1MEN1ALDH1A1
SCHEMBL11072852 0.82 ESR1 (0.44) ESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10777850-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-09-15 US disclosed
US-20190051941-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-02-14 US disclosed
US-10177414-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-01-08 US disclosed
EP-3098893-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2017-11-29 EP disclosed
EP-3098893-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY USING SAME Mitsubishi Chemical Corporation (JP) 2016-11-30 EP disclosed
US-20160322669-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-11-03 US disclosed
US-9461334-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-04 US disclosed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US disclosed