SCHEMBL7214739

SCHEMBL7214739

O=S(=O)(Nc1cccc(C2=NCCc3ccccc32)c1)c1cc(Br)c(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 1/20 0.43
MAPK10 P53779 8/20 0.38
MAPK14 Q16539 2/20 0.38
MAOA P21397 1/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
MAPK9 P45984 1/20 0.35
PFKFB3 Q16875 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ACLY P53396 1/20 0.34
RAD51 Q06609 1/20 0.34

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
SCHEMBL7121467 0.91 MAPK10 (0.39) PFKFB4MAPK10MAPK14TP53MAPT
SCHEMBL6720450 0.91 MAPK10 (0.40) PFKFB4MAPK10MAPK14TP53MAPT
SCHEMBL6718162 0.90 CA1 (0.40) PFKFB4MAPK10MAPK14MAOATP53
SCHEMBL6718292 0.89 MAPK10 (0.42) PFKFB4MAPK10MAPK14TP53MAPT
SCHEMBL6718112 0.89 MAPK10 (0.40) PFKFB4MAPK10MAPK14TP53MAPT
SCHEMBL7065243 0.87 LMNA (0.39) PFKFB4MAPK10MAPK14TP53MAPT
SCHEMBL6724853 0.82 MAPK10 (0.43) MAPK10MAPK14LMNAMAPK9ALDH1A1
SCHEMBL6720454 0.80 DRD2 (0.39) MAPK10TP53MAPTPFKFB3CA1
SCHEMBL6725387 0.78 CA1 (0.42) MAPK10TP53MAPTLMNAPFKFB3
SCHEMBL6718296 0.78 MAPK10 (0.39) MAPK10TP53MAPTLMNAPFKFB3

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-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed