SCHEMBL20094151

SCHEMBL20094151

COc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1C

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.64
L3MBTL1 Q9Y468 9/20 0.64
MBTD1 Q05BQ5 4/20 0.63
TP53BP1 Q12888 2/20 0.63
L3MBTL4 Q8NA19 1/20 0.63
HSD11B1 P28845 7/20 0.63
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60

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
SCHEMBL19227480 0.90 HSD11B1 (0.64) L3MBTL3L3MBTL1HSD11B1KDM4EALDH1A1
SCHEMBL21611002 0.89 L3MBTL3 (0.62) L3MBTL3L3MBTL1HSD11B1KDM4EALDH1A1
SCHEMBL24042650 0.88 L3MBTL3 (0.62) L3MBTL3L3MBTL1HSD11B1KDM4EALDH1A1
SCHEMBL21610999 0.88 L3MBTL3 (0.60) L3MBTL3L3MBTL1HSD11B1KDM4EALDH1A1
SCHEMBL17689118 0.87 HPGD (0.66) L3MBTL1HSD11B1ALDH1A1
SCHEMBL1912013 0.85 LRRK2 (0.69) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL17689086 0.85 HPGD (0.64) L3MBTL1HSD11B1ALDH1A1
SCHEMBL21475151 0.84 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL13090086 0.83 ALDH1A1 (0.69) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL23997109 0.82 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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-2018075608-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 WO disclosed