SCHEMBL8323498

SCHEMBL8323498

CS(=O)(=O)OCC1Cc2cc3ccccn3c2CC1COS(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL1999145 0.81 BUB1 (0.32) HTTATML3MBTL1
SCHEMBL234224 0.72 KDM4E (0.30)
SCHEMBL8325790 0.65 MEN1 (0.38) HTTATML3MBTL1
SCHEMBL7214509 0.65 IDO1 (0.41)
SCHEMBL6015851 0.64 HTT (0.38) HTTATML3MBTL1
SCHEMBL8319230 0.64 HTT (0.38) HTTATML3MBTL1
SCHEMBL8323502 0.63 HTR2A (0.36)
SCHEMBL8323489 0.63 HTR2A (0.36)
SCHEMBL8323495 0.63 HTR2A (0.36)
SCHEMBL9382372 0.62 DRD3 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed