SCHEMBL6004236

SCHEMBL6004236

COc1ccc2[nH]c3c(c2c1)CCCN(C(=O)Nc1ccccc1Cl)C3C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
NPSR1 Q6W5P4 2/20 0.58
POLB P06746 2/20 0.58
TP53 P04637 5/20 0.52
ABCG2 Q9UNQ0 1/20 0.48
SIRT1 Q96EB6 1/20 0.46
MAPKAPK2 P49137 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPKAPK5 Q8IW41 1/20 0.42

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
SCHEMBL998493 0.91 MAPT (0.73) MAPTNPSR1POLBTP53SIRT1
SCHEMBL998530 0.91 MAPT (0.61) MAPTNPSR1POLBTP53ABCG2
SCHEMBL1000924 0.88 MAPT (0.62) MAPTNPSR1POLBTP53ABCG2
SCHEMBL999699 0.86 MAPT (0.59) MAPTNPSR1POLBTP53ABCG2
SCHEMBL998795 0.83 MAPT (0.56) MAPTNPSR1POLBTP53SIRT1
SCHEMBL997405 0.83 MAPT (0.62) MAPTNPSR1POLBTP53ABCG2
SCHEMBL998332 0.83 MAPT (0.74) MAPTNPSR1POLBTP53ABCG2
SCHEMBL998642 0.82 SIRT1 (0.56) MAPTPOLBTP53ABCG2SIRT1
SCHEMBL999602 0.81 MAPT (0.67) MAPTNPSR1POLBTP53ABCG2
SCHEMBL998555 0.81 MAPT (0.63) MAPTNPSR1POLBTP53ABCG2

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 disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 EP disclosed