SCHEMBL19643676

SCHEMBL19643676

O=C(Oc1cc(C(F)(F)F)cc2[nH]nnc12)Oc1cc(C(F)(F)F)cc2[nH]nnc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.33
CACNA1B Q00975 5/20 0.32
CACNA1H O95180 5/20 0.32
CACNA1C Q13936 4/20 0.32
CYP1A2 P05177 2/20 0.32
METAP2 P50579 2/20 0.32
EGLN1 Q9GZT9 3/20 0.32
MAPK1 P28482 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAPK6 Q16659 1/20 0.32
MAPKAPK5 Q8IW41 1/20 0.32
CACNA1G O43497 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
MEN1 O00255 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
SCHEMBL2363622 0.91 KDM4E (0.33) KDM4EALDH1A1HPGDUSP2CYP2C19
SCHEMBL27493427 0.87 KDM4E (0.33) KDM4EALDH1A1HPGDUSP2CYP2C19
SCHEMBL3819062 0.77 CACNA1H (0.32) CACNA1HCYP1A2METAP2ABCG2
SCHEMBL5243865 0.74 METAP2 (0.35) KDM4ECYP2C19CES2CACNA1BCACNA1H
SCHEMBL3961551 0.73 CACNA1H (0.47) CACNA1BCACNA1HCACNA1CEGLN1CACNA1G
SCHEMBL14468042 0.73 METAP2 (0.38) KDM4EHSD17B10CACNA1BCACNA1HCACNA1C
SCHEMBL31023736 0.71 CBFB (0.43) KDM4EALDH1A1CACNA1BCACNA1HCACNA1C
SCHEMBL3394106 0.71 RIPK1 (0.43) KDM4ECACNA1BCACNA1HCACNA1CCYP1A2
SCHEMBL44289 0.70 MAPT (0.33) KDM4EHPGDUSP2HSD17B10METAP2
SCHEMBL14445623 0.68 TRPV1 (0.33) KDM4EALDH1A1CACNA1BCACNA1HCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463367-A1 METHOD OF TREATING CANCER BY TARGETING MYELOID-DERIVED SUPPRESSOR CELLS Purdue Research Foundation (US) 2019-04-10 EP disclosed
WO-2017205661-A1 METHOD OF TREATING CANCER BY TARGETING MYELOID-DERIVED SUPPRESSOR CELLS PURDUE RESEARCH FOUNDATION (US) 2017-11-30 WO disclosed