SCHEMBL13708139

SCHEMBL13708139

CC(C)(C)OC(=O)C1CCC(Nc2sc(C(=O)c3cc(-c4ccccc4)no3)c(N)c2C#N)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
USP30 Q70CQ3 7/20 0.38
MELK Q14680 3/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 1/20 0.35
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL4476832 0.87 USP30 (0.46) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL3831527 0.86 USP30 (0.51) USP30
SCHEMBL3824051 0.85 USP30 (0.44) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL4467624 0.84 USP30 (0.43) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL4477957 0.81 USP30 (0.47) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL3818264 0.81 USP30 (0.41) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL4484019 0.80 ALDH1A1 (0.47) ALDH1A1POLBMELKMAPTGAA
SCHEMBL4473863 0.79 USP30 (0.45) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL4485824 0.79 USP30 (0.45) ALDH1A1POLBUSP30MELKMAPT
SCHEMBL4469283 0.79 MELK (0.41) ALDH1A1POLBUSP30MELKMAPT

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
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed