SCHEMBL18598226

SCHEMBL18598226

CC(C)Oc1cc(O)c2c(=O)c(N=O)c(-c3ccc(O)c(O)c3)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.57
▸ KMT2A Q03164 6/20 0.57
▸ MAPT P10636 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ RECQL P46063 4/20 0.57
▸ HSD17B10 Q99714 4/20 0.57
▸ CYP3A4 P08684 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ APP P05067 2/20 0.57
▸ THRB P10828 2/20 0.57
▸ AKR1B1 P15121 2/20 0.57
▸ ELAVL3 Q14576 2/20 0.57
▸ IPMK Q8NFU5 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ IP6K2 Q9UHH9 2/20 0.57
▸ NOX4 Q9NPH5 2/20 0.56
▸ PLG P00747 1/20 0.56
▸ POLH Q9Y253 7/20 0.52
▸ POLB P06746 3/20 0.52
▸ GAA P10253 3/20 0.52

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
SCHEMBL22449722 0.84 POLH (0.71) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL28041625 0.77 POLH (0.76) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL27772072 0.77 ABCB1 (0.76) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL19756750 0.74 POLH (0.61) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL19943189 0.74 CYP3A4 (0.70) MEN1KMT2AMAPTKDM4ERECQL
Rhamnetin SCHEMBL29453025 0.73 MEN1 (1.00) MEN1KMT2AMAPTKDM4ERECQL
Rhamnetin SCHEMBL29496169 0.73 MEN1 (1.00) MEN1KMT2AMAPTKDM4ERECQL
Rhamnetin SCHEMBL555118 0.73 MEN1 (1.00) MEN1KMT2AMAPTKDM4ERECQL
Rhamnetin SCHEMBL7164573 0.73 MEN1 (1.00) MEN1KMT2AMAPTKDM4ERECQL
SCHEMBL21621459 0.73 ADORA3 (0.61) MEN1KMT2AMAPTKDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138838-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS Dana-Farber Cancer Institute, Inc. (US) 2017-03-08 — — EP disclosed
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