SCHEMBL6052078

SCHEMBL6052078

COc1ccc(Cc2nc(O)c3ncn(C(CCCc4ccccc4)C(C)O)c3n2)cc1S(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 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
SCHEMBL6051992 0.95 TDP1 (0.39) TDP1ALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6052081 0.88 PDE2A (0.42) TDP1ALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6051998 0.84 PDE2A (0.42) TDP1ALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6052091 0.77 CDK1 (0.39) TDP1MAPK1TSHR
SCHEMBL6051960 0.69 CDK1 (0.46) TDP1
SCHEMBL6023837 0.67 PDE2A (0.51)
SCHEMBL6023204 0.67 PDE2A (0.51)
SCHEMBL6051967 0.67 CDK1 (0.42) TDP1
SCHEMBL6052089 0.64 PDE2A (0.49)
SCHEMBL8141468 0.64 PDE5A (0.56)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US claimed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP claimed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO claimed
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 US disclosed
EP-1660132-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA Pharma AG (DE) 2006-05-31 EP disclosed
WO-2005021037-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE2 INHIBITOR ALTANA PHARMA AG (DE) 2005-03-10 WO disclosed