SCHEMBL21756960

SCHEMBL21756960

Brc1ccc(Oc2ccc(C34CC5CC(C3)C(C5)C4)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAD52 P43351 3/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 2/20 0.39
EPHX2 P34913 3/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
NPC1 O15118 1/20 0.36
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
CASP2 P42575 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL21752967 0.92 LMNA (0.52) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL25568539 0.90 LMNA (0.52) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21757026 0.83 MEN1 (0.40) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL27845478 0.82 LMNA (0.61) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL2709413 0.80 LMNA (0.63) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL25709691 0.80 LMNA (0.63) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL25709655 0.80 LMNA (0.63) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL7104226 0.79 LMNA (0.49) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21756909 0.78 MEN1 (0.41) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL21382098 0.76 MEN1 (0.51) MEN1KMT2ALMNAALDH1A1L3MBTL1

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
WO-2020039092-A2 NOVEL AROMATIC MOLECULES Xeniopro GmbH (DE) 2020-02-27 WO disclosed
US-9403829-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-b]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2016-08-02 US disclosed