SCHEMBL7210296

SCHEMBL7210296

O=S(=O)(Nc1cccc(C2=NCCc3cc(F)ccc32)c1)c1ccc(F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.56
MAPK10 P53779 2/20 0.47
TP53 P04637 5/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
BRD4 O60885 2/20 0.43
PRF1 P14222 1/20 0.42
ITGA1 P56199 1/20 0.41
SGK1 O00141 3/20 0.41
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
THRB P10828 1/20 0.41
USP2 O75604 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
SCHEMBL6724669 0.95 PFKFB3 (0.53) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6720563 0.93 PFKFB3 (0.55) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6717907 0.93 PFKFB3 (0.55) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6718694 0.92 PFKFB3 (0.48) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6720387 0.90 PFKFB3 (0.52) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6716553 0.89 LMNA (0.53) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6714964 0.89 SGK1 (0.49) PFKFB3MAPK10LMNABRD4ITGA1
SCHEMBL6720455 0.88 MAPK10 (0.46) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6720429 0.87 LMNA (0.50) PFKFB3MAPK10TP53LMNAMAPT
SCHEMBL6714983 0.85 CDK1 (0.50) PFKFB3MAPK10TP53LMNAITGA1

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