SCHEMBL6767198

SCHEMBL6767198

CCCc1nn(-c2ccc(C(C)C)cc2)c2c1C(=O)CC(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ABCG2 Q9UNQ0 4/20 0.37
CSNK2A2 P19784 3/20 0.37
CSNK2B P67870 3/20 0.37
CSNK2A1 P68400 3/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
SLC5A1 P13866 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 1/20 0.33
ALPL P05186 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
DHODH Q02127 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
GAA P10253 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 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
SCHEMBL6769465 0.88 ALDH1A1 (0.36) L3MBTL1ALDH1A1LMNASLC5A1MAPT
SCHEMBL6164477 0.86 ABCG2 (0.43) L3MBTL1ABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6769518 0.82 L3MBTL1 (0.49) L3MBTL1ABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6771511 0.82 L3MBTL1 (0.49) L3MBTL1ABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6770454 0.81 ALDH1A1 (0.48) CSNK2BCSNK2A1ALDH1A1LMNASLC5A1
SCHEMBL6771042 0.81 ALDH1A1 (0.44) ABCG2CSNK2A2CSNK2BCSNK2A1ALDH1A1
SCHEMBL6777334 0.80 L3MBTL1 (0.47) L3MBTL1ABCG2CSNK2A2CSNK2BCSNK2A1
SCHEMBL6772068 0.80 ALDH1A1 (0.57) ALDH1A1LMNANPSR1KMT2AALPL
SCHEMBL6167600 0.76 CCNA2 (0.41) ABCG2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL6767248 0.76 DHODH (0.35) ALDH1A1LMNAMAPTNPSR1KMT2A

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