SCHEMBL8601359

SCHEMBL8601359

Cc1ccc(S(=O)(=O)n2cc(C)c3ccc(C(=O)Cl)cc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.64
PDE4B Q07343 3/20 0.64
PDE4C Q08493 3/20 0.64
PDE4D Q08499 3/20 0.64
HTR6 P50406 7/20 0.47
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43
ALK Q9UM73 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ALOX5 P09917 3/20 0.41
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
ALDH3A1 P30838 1/20 0.39
HTT P42858 1/20 0.39
NOD1 Q9Y239 1/20 0.39
FABP4 P15090 1/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL1553465 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DHTR6
Hydrochloric Acid SCHEMBL8601366 0.87 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL1554312 0.85 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL22670361 0.79 HTR6 (0.55) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL1553409 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL1553735 0.79 PDE4D (0.70) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL11976615 0.78 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL8604227 0.78 SLC22A12 (0.55) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL18858718 0.76 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DHTR6
SCHEMBL11975851 0.76 KDM4E (0.54) PDE4APDE4BPDE4CPDE4DHTR6

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed