SCHEMBL6005688

SCHEMBL6005688

N#Cc1cccc(NC(=O)N2CCCc3c([nH]c4ccccc34)C2c2ccc(F)c(F)c2F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.53
ABCB1 P08183 4/20 0.49
ABCG2 Q9UNQ0 4/20 0.49
TP53 P04637 3/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
MAPT P10636 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ROCK2 O75116 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL998794 0.83 MAPT (0.67) SHMT2ABCB1ABCG2TP53TRPM8
SCHEMBL1000685 0.74 TP53 (0.61) SHMT2ABCB1ABCG2TP53MAPT
SCHEMBL1000817 0.74 MAPT (0.71) SHMT2ABCB1ABCG2TP53TRPM8
SCHEMBL999013 0.73 TRPV1 (0.65) TRPV1ALDH1A1
SCHEMBL1077903 0.73 MAPT (0.72) SHMT2TP53MAPTNPSR1LMNA
SCHEMBL998943 0.72 MAPT (0.71) SHMT2ABCB1ABCG2TP53MAPT
SCHEMBL998250 0.70 MAPT (0.71) SHMT2TP53MAPTNPSR1LMNA
SCHEMBL998412 0.70 MAPT (0.64) SHMT2ABCB1ABCG2TP53MAPT
SCHEMBL1078960 0.70 MAPT (0.88) SHMT2ABCB1ABCG2TP53MAPT
SCHEMBL17792810 0.69 SHMT2 (1.00) SHMT2ABCB1ABCG2TP53MAPT

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