SCHEMBL12527293

SCHEMBL12527293

CCN1C(=O)c2cccc3c(-c4cn(-c5ccc(N6CCOc7cc(C)ccc7N7CC78CCOCC7(COCCOC8)CN7c7ccc(C)cc7OCC6)c(OC)c5)nn4)ccc(c23)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.33
▸ KMT2A Q03164 9/20 0.33
▸ L3MBTL1 Q9Y468 6/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ PIK3CA P42336 4/20 0.32
▸ RORC P51449 1/20 0.32
▸ KEAP1 Q14145 3/20 0.32
▸ NFE2L2 Q16236 3/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TNNI3 P19429 1/20 0.32
▸ TNNT2 P45379 1/20 0.32
▸ TNNC1 P63316 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HTR1A P08908 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BRD1 O95696 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
SCHEMBL20630906 0.90 MEN1 (0.38) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL12526114 0.84 MEN1 (0.43) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL20631606 0.81 MEN1 (0.38) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL12528173 0.79 ADRA1D (0.38) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL20607667 0.78 MEN1 (0.43) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL20630853 0.74 MEN1 (0.32) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL12525205 0.74 MEN1 (0.44) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL12495572 0.73 PIK3CA (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL12494814 0.73 PIK3CA (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL20631611 0.71 HDAC3 (0.46) MEN1KMT2AL3MBTL1SMN1; SMN2LMNA

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
WO-2012120141-A1 Π (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIVERSITÄT POTSDAM (DE) 2012-09-13 — — WO disclosed
Send feedback