SCHEMBL6777334

SCHEMBL6777334

CC1CC(=O)c2c(C3CC3)nn(-c3ccc(C(C)C)cc3)c2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CSNK2A2 P19784 3/20 0.39
CSNK2B P67870 3/20 0.39
CSNK2A1 P68400 3/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
OPRM1 P35372 2/20 0.39
MAPT P10636 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
ALDH1A1 P00352 2/20 0.34
MGLL Q99685 1/20 0.33
DHODH Q02127 1/20 0.33
KMT2A Q03164 2/20 0.33
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6769850 0.87 OPRM1 (0.38) L3MBTL1OPRM1MAPTALDH1A1MGLL
SCHEMBL6769518 0.85 L3MBTL1 (0.49) L3MBTL1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6771511 0.85 L3MBTL1 (0.49) L3MBTL1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6772503 0.85 OPRM1 (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6168193 0.85 ABCG2 (0.42) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3
SCHEMBL6770960 0.81 SRC (0.43) L3MBTL1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6767198 0.80 L3MBTL1 (0.44) L3MBTL1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6770500 0.80 OPRM1 (0.61) OPRM1
SCHEMBL6771222 0.80 OPRM1 (0.47) L3MBTL1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6162980 0.76 CCNA2 (0.40) CSNK2A2CSNK2BCSNK2A1ABCG2CSNK2A3

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed