SCHEMBL17589752

SCHEMBL17589752

CCC(C)(C)OC(=O)Nc1sc(-c2cccnc2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP2C19 P33261 4/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
CDC7 O00311 2/20 0.45
DBF4 Q9UBU7 2/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 5/20 0.41
GFER P55789 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL13047832 0.92 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047848 0.90 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL290732 0.89 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047830 0.85 MEN1 (0.52) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13047855 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13048466 0.81 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13048474 0.81 MEN1 (0.57) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL290428 0.80 CYP3A4 (0.64) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13048470 0.80 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19LMNAMAPT
SCHEMBL13048463 0.79 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19LMNAMAPT

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
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed