SCHEMBL6051998

SCHEMBL6051998

COc1cc(Cc2nc3c(ncn3C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)ccc1S(=O)(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RNASEH1 O60930 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL6052081 0.95 PDE2A (0.42) PDE2AALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6051992 0.89 TDP1 (0.39) PDE2AALDH1A1CYP3A4CYP2D6SMN1; SMN2
SCHEMBL6052078 0.84 TDP1 (0.43) ALDH1A1CYP3A4CYP2D6SMN1; SMN2POLB
SCHEMBL6023204 0.81 PDE2A (0.51) PDE2ARNASEH1
SCHEMBL6023837 0.81 PDE2A (0.51) PDE2ARNASEH1
SCHEMBL6052089 0.78 PDE2A (0.49) PDE2ARNASEH1
SCHEMBL6023263 0.78 PDE2A (0.44) PDE2ARNASEH1
SCHEMBL7440929 0.77 PDE2A (0.54) PDE2ARNASEH1
SCHEMBL359546 0.74 PDE2A (0.51) PDE2AALDH1A1SMN1; SMN2POLBRNASEH1
SCHEMBL6024137 0.73 PDE2A (0.42) PDE2A

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
US-20060229242-A1 Composition comprising a pulmonary surfactant and a pde2 inhibitor ALTANA PHAZMA AG (DE) 2006-10-12 — — US claimed
Send feedback