SCHEMBL8406199

SCHEMBL8406199

O=C(O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)o2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
GFER P55789 1/20 0.68
CTDSP1 Q9GZU7 1/20 0.68
BRAF P15056 2/20 0.67
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
HTRA2 O43464 2/20 0.60
PIM1 P11309 1/20 0.59
TDP1 Q9NUW8 4/20 0.58
PSMD14 O00487 3/20 0.58
MMP2 P08253 3/20 0.58
MAPT P10636 3/20 0.58
RECQL P46063 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MCL1 Q07820 2/20 0.58
DNMT1 P26358 1/20 0.58
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58

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
SCHEMBL8406198 0.84 HTRA2 (0.62) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL3892654 0.83 APEX1 (0.71) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL3892650 0.83 APEX1 (0.71) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL29665060 0.81 LCK (0.73) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL31358664 0.79 PIM1 (0.72) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL13587005 0.79 GSK3A (0.81) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL6795412 0.79 APEX1 (0.70) POLBMEN1KMT2ABRAFTDP1
SCHEMBL19652472 0.77 GSK3A (0.79) POLBMEN1KMT2ATDP1MAPT
SCHEMBL10091431 0.77 PIM1 (0.62) POLBMEN1KMT2AGFERCTDSP1
SCHEMBL14426531 0.76 PTPN1 (0.75) POLBMEN1KMT2AGFERCTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242122-B2 Method and compounds for inhibition of cell death UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-08-14 US disclosed
US-8242122-B2 Method and compounds for inhibition of cell death UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-08-14 US disclosed
US-7713981-B2 Method and compounds for inhibition of cell death UNIVERSITY OF CENTRAL FLORIDA (US) 2010-05-11 US disclosed
US-20040171629-A1 Method and compounds for inhibition of cell death NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-09-02 US disclosed