SCHEMBL6772503

SCHEMBL6772503

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.40
CSNK2A2 P19784 3/20 0.36
CSNK2B P67870 3/20 0.36
CSNK2A1 P68400 3/20 0.36
ABCG2 Q9UNQ0 3/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
SRC P12931 1/20 0.32
BUB1 O43683 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 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
SCHEMBL6168193 0.87 ABCG2 (0.42) OPRM1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6777334 0.85 L3MBTL1 (0.47) OPRM1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6771250 0.84 OPRM1 (0.45) OPRM1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6776388 0.84 OPRM1 (0.38) OPRM1SRCBUB1
SCHEMBL6770603 0.81 CSNK2A2 (0.40) OPRM1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6771234 0.81 CSNK2A2 (0.35) OPRM1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6771222 0.79 OPRM1 (0.47) OPRM1CSNK2A2CSNK2BCSNK2A1ABCG2
SCHEMBL6771178 0.79 SRC (0.43) OPRM1CSNK2BCSNK2A1SRCALDH1A1
SCHEMBL6766804 0.79 OPRM1 (0.64) OPRM1
SCHEMBL6770545 0.78 ABCG2 (0.38) 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