SCHEMBL20248362

SCHEMBL20248362

CCCC1(CCC)c2ccccc2-c2ccc(N(CC)CC)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.41
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TERT O14746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PGR P06401 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36

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
SCHEMBL20248361 0.84 CNR2 (0.44) PDK2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL20248364 0.80 RPS6KA2 (0.41) PDK2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL29370881 0.80 APEX1 (0.53) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL9867937 0.80 APEX1 (0.53) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL1617518 0.80 APEX1 (0.53) PDK2MEN1KMT2AALDH1A1MAPT
SCHEMBL11966149 0.80 PDK2 (0.44) PDK2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9781137 0.79 APEX1 (0.43) PDK2APEX1PGR
SCHEMBL20248363 0.78 KCNQ2 (0.38) PDK2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28199215 0.77 PDK2 (0.42) PDK2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL13931287 0.77 PDK2 (0.40) PDK2ALDH1A1L3MBTL1MAPTAPEX1

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
US-20180166632-A1 HIGH MOLECULAR COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-14 — — US disclosed
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