SCHEMBL7410057

SCHEMBL7410057

COc1c(Cl)cccc1N(C(N)=O)c1ccc(C2=NCCc3ccc(F)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 14/20 0.48
MAPK14 Q16539 5/20 0.40
MAPK9 P45984 2/20 0.39
MAPK8 P45983 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7404062 0.82 MAPK10 (0.43) MAPK10MAPK14MAPK9MAPK8CA1
SCHEMBL7405536 0.80 ALDH1A1 (0.48) MAPK10MAPK14MAPK9MAPK8CA1
SCHEMBL7407258 0.80 ALDH1A1 (0.48) MAPK10MAPK14MAPK9MAPK8CA1
SCHEMBL7406251 0.80 PLG (0.41) MAPK10MAPK14CA1CA2CA7
SCHEMBL7410608 0.79 MAPK10 (0.36) MAPK10CA1CA2CA7CA9
SCHEMBL7449476 0.79 MAPK10 (0.42) MAPK10MAPK14CA1CA2CA7
SCHEMBL7401465 0.77 MAPK10 (0.41) MAPK10MAPK14CA1CA2CA7
SCHEMBL7408668 0.77 MAPK10 (0.38) MAPK10MAPK14CA1CA2CA7
SCHEMBL7405026 0.77 MAPK10 (0.40) MAPK10MAPK14MAPK9CA1CA2
SCHEMBL7408189 0.77 PLG (0.39) MAPK10CA1CA2CA7CA9

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-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed