SCHEMBL6838679

SCHEMBL6838679

c1cc(N2CCCCC2)nc(N2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
PDE10A Q9Y233 2/20 0.49
HTR3E A5X5Y0 4/20 0.48
HTR3B O95264 4/20 0.48
HTR3A P46098 4/20 0.48
HTR3D Q70Z44 4/20 0.48
HTR3C Q8WXA8 4/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL6242988 1.00 HSD11B1 (0.50) HSD11B1KDM4ETDP1GAAL3MBTL1
SCHEMBL15918558 0.97 HTR3E (0.50) HSD11B1KDM4ETDP1GAAL3MBTL1
SCHEMBL22334883 0.88 GAA (0.53) KDM4EGAAPDE10AALDH1A1MAPT
SCHEMBL31195791 0.85 HSD17B14 (0.47) HSD11B1KDM4ETDP1GAAL3MBTL1
SCHEMBL6467644 0.85 HTR3E (0.70) KDM4ETDP1GAAL3MBTL1PDE10A
SCHEMBL957605 0.85 GRIN2D (0.56) HSD11B1KDM4ETDP1GAAL3MBTL1
SCHEMBL16333725 0.85 HTR3E (0.68) HSD11B1KDM4ETDP1GAAL3MBTL1
SCHEMBL6242154 0.85 HTR3E (0.68) KDM4ETDP1PDE10AHTR3EHTR3B
SCHEMBL31598802 0.85 GRIN2D (0.56) HSD11B1KDM4ETDP1GAAL3MBTL1
SCHEMBL2252097 0.85 GRIN2D (0.56) HSD11B1KDM4ETDP1GAAL3MBTL1

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
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
US-6767671-B2 STABILITY; HEAT RESISTANCE MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-27 US disclosed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US disclosed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP disclosed