SCHEMBL25756599

SCHEMBL25756599

CCOCNCCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
EPHX2 P34913 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL26421913 0.82 ALDH1A1 (0.34) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL24493737 0.76 PTGS1 (0.35) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1979880 0.75
SCHEMBL1805336 0.74 PTGS1 (0.45) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5889198 0.73 CYP2C19 (0.42) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL1980068 0.73 PAOX (0.45) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL5596038 0.72 TSHR (0.41) CYP2C19
SCHEMBL18251465 0.72 EPHX2 (0.33) LMNACYP2C19EPHX2CYP2D6
SCHEMBL30026428 0.71 PTGS1 (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19
SCHEMBL13754311 0.71 PAOX (0.43) PTGS1PDE4ALMNASLC6A6CYP2C19

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-2850086-B1 HETEROARYLCYANINE DYES PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2023-07-05 EP disclosed