SCHEMBL7213740

SCHEMBL7213740

CCc1ccc(S(=O)(=O)Nc2ccc(C3=NCCc4cc(F)ccc43)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.53
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.45
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KIT P10721 2/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN5 P54829 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6718222 0.89 CA1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6724633 0.86 ALDH1A1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL6717866 0.86 CA1 (0.59) CA1CA2CA7CA9CA14
SCHEMBL6718644 0.85 LMNA (0.47) CA1CA2CA7CA9CA14
SCHEMBL6715039 0.84 CA1 (0.48) CA1CA2CA7CA9CA14
SCHEMBL6714859 0.82 ATM (0.47) CA1CA2CA7CA9CA14
SCHEMBL7209077 0.81 MAPK10 (0.43) CA1CA2CA7CA9CA14
SCHEMBL6716436 0.81 ALDH1A1 (0.48) MAPTKMT2AL3MBTL1LMNAALDH1A1
SCHEMBL6714964 0.79 SGK1 (0.49) CA1CA2CA7CA9CA14
SCHEMBL6714954 0.78 THRB (0.50) MAPTLMNAPTPN2PTPN1PTPN5

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