SCHEMBL997180

SCHEMBL997180

CC(=O)N1CC2(CCC2)c2c([nH]c3ccccc23)C1c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.50
ABCB1 P08183 8/20 0.40
ABCG2 Q9UNQ0 8/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL997606 0.98 KIF11 (0.50) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL999416 0.96 KIF11 (0.52) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL997890 0.90 KIF11 (0.49) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL2035529 0.88 KIF11 (0.47) KIF11ABCB1ABCG2TP53MAPT
SCHEMBL2033145 0.88 KIF11 (0.43) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL996837 0.87 ABCG2 (0.50) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL998933 0.87 KIF11 (0.53) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL2032121 0.86 KIF11 (0.42) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL999146 0.85 KIF11 (0.43) KIF11ABCB1ABCG2TP53LMNA
SCHEMBL2034973 0.85 KIF11 (0.43) KIF11ABCB1ABCG2TP53LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637521-B1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO (JP) 2013-06-19 EP claimed
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed