SCHEMBL6769804

SCHEMBL6769804

CC(C)c1nn(-c2ccc(I)cc2)c2c1C(=O)CC(C(C)C)C2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.38
DHODH Q02127 1/20 0.37
PDE4B Q07343 1/20 0.33
BUB1 O43683 1/20 0.31
OPRM1 P35372 2/20 0.30

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
SCHEMBL6767785 0.89 L3MBTL1 (0.39) PPARADHODHPDE4BOPRM1
SCHEMBL6164547 0.88 DHODH (0.43) DHODHPDE4BBUB1
SCHEMBL6771481 0.86 OPRM1 (0.43) PPARADHODHBUB1OPRM1
SCHEMBL6770603 0.86 CSNK2A2 (0.40) PPARAPDE4BBUB1OPRM1
SCHEMBL6776388 0.84 OPRM1 (0.38) DHODHBUB1OPRM1
SCHEMBL6777392 0.83 DHODH (0.36) DHODHBUB1
SCHEMBL6770489 0.82 DHODH (0.35) DHODHBUB1
SCHEMBL6767248 0.81 DHODH (0.35) PPARADHODHPDE4B
SCHEMBL6767259 0.80 SRC (0.40) DHODH
SCHEMBL6767074 0.79 OPRM1 (0.41) PPARAOPRM1

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