SCHEMBL998181

SCHEMBL998181

CC(=O)N1C(c2cccc(F)c2)c2[nH]c3ccncc3c2CC12CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.42
MAPT P10636 2/20 0.38
ESR1 P03372 1/20 0.37
ACHE P22303 1/20 0.35
ABCB1 P08183 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CDK9 P50750 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL998567 0.90 KIF11 (0.40) KIF11MAPTESR1ACHEABCB1
SCHEMBL997862 0.86 KIF11 (0.41) KIF11MAPTESR1MAPK1KDM4E
SCHEMBL999207 0.84 KIF11 (0.38) KIF11ESR1RXFP1MAPK1CDK9
SCHEMBL6007489 0.84 KIF11 (0.39) KIF11MAPTESR1ABCB1ABCG2
SCHEMBL999957 0.83 KIF11 (0.38) KIF11MAPTESR1ABCB1ABCG2
SCHEMBL997542 0.83 KIF11 (0.38) KIF11MAPTESR1RXFP1TDP1
SCHEMBL999103 0.82 KIF11 (0.40) KIF11MAPTESR1RXFP1TDP1
SCHEMBL998321 0.81 KIF11 (0.61) KIF11MAPTABCB1ABCG2TDP1
SCHEMBL997628 0.81 KIF11 (0.37) KIF11RXFP1TDP1KDM4EALDH1A1
SCHEMBL998662 0.79 KIF11 (0.39) KIF11MAPTESR1MAPK1KDM4E

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-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed