SCHEMBL20025558

SCHEMBL20025558

CC(C)c1ccc(-c2nc3ccccc3nc2-c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 6/20 0.57
▸ KDM4E B2RXH2 6/20 0.57
▸ LMNA P02545 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ DHODH Q02127 2/20 0.56
▸ PDE10A Q9Y233 1/20 0.56
▸ MAPT P10636 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ AKT1 P31749 1/20 0.49
▸ AKT2 P31751 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ MAPK14 Q16539 3/20 0.47
▸ MAPK10 P53779 2/20 0.47

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
SCHEMBL3926750 0.85 L3MBTL1 (0.69) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL3925029 0.83 ALDH1A1 (0.73) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL1102420 0.81 KDM4E (0.61) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL13950894 0.77 KDM4E (0.78) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL28224205 0.77 RAB9A (0.47) L3MBTL1KDM4EDHODHPDE10AMAPT
SCHEMBL31010873 0.76 NPC1 (0.67) L3MBTL1KDM4EGAADHODHMAPT
SCHEMBL4605644 0.76 KMT2A (0.64) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL6341547 0.76 TDP1 (0.91) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL8016751 0.76 L3MBTL1 (0.91) L3MBTL1KDM4ELMNATDP1GAA
SCHEMBL24590007 0.75 KDM4E (0.75) L3MBTL1KDM4ELMNATDP1GAA

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-20180093252-A1 POROUS CYCLODEXTRIN POLYMERIC MATERIALS AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2018-04-05 — — US disclosed
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