SCHEMBL6120296

SCHEMBL6120296

CCOC(=O)c1c(-c2ccc(Cl)cc2)nn2cc(NS(=O)(=O)CCc3ccc(OC)cc3)c(C3CC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
APLNR P35414 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 5/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 3/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
PTPN11 Q06124 1/20 0.35
PTGES2 Q9H7Z7 2/20 0.35

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
SCHEMBL6120362 0.93 MAPK8 (0.39) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL6120612 0.90 MAPT (0.38) APLNRMAPTALDH1A1PTGES2
SCHEMBL6120931 0.87 BRAF (0.35) APLNRMAPTLMNAHTTCA12
SCHEMBL6120692 0.84 TP53 (0.37) MAPTLMNAACHE
SCHEMBL6121072 0.82 MAPT (0.36) MAPTALDH1A1ACHE
SCHEMBL6121104 0.81 BRAF (0.34) ALDH1A1GAALMNAHPGDCA12
SCHEMBL6120299 0.80 CA12 (0.38) MAPK8MAPK9MAPK10MAPTALDH1A1
SCHEMBL6120407 0.80 BRAF (0.33) MAPK8MAPK9MAPK10
SCHEMBL6120580 0.79 SLC34A1 (0.32) ALDH1A1
SCHEMBL6121078 0.77 PTGES2 (0.35) APLNRPTGES2

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
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed