SCHEMBL4684477

SCHEMBL4684477

CC1CN(c2nc(Cc3ccc(F)cc3)ns2)CCN1S(=O)(=O)c1ccc(F)c(F)c1F.Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4c(C)cc(C)cc4C)C(C)C3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.36
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL2011871 0.91 HSD11B1 (0.39) HSD11B1
SCHEMBL2003926 0.88 CNR1 (0.40) LMNACNR1
SCHEMBL2007974 0.82 HSD11B1 (0.43) HSD11B1CNR1
SCHEMBL4685105 0.82 HSD11B1 (0.43) HSD11B1CNR1
SCHEMBL2008890 0.79 HSD11B1 (0.46) HSD11B1
SCHEMBL2010784 0.78 ACHE (0.41) HSD11B1CNR1
SCHEMBL2007089 0.78 ALDH1A1 (0.42) HSD11B1LMNACNR1
SCHEMBL8239514 0.77 USP2 (0.40) HSD11B1CNR1
SCHEMBL3135656 0.77 GBA1 (0.43) HSD11B1LMNA
SCHEMBL3055583 0.77 CNR1 (0.41) HSD11B1CNR1

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
EP-1981504-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV Remynd (BE) 2008-10-22 EP claimed
WO-2007090617-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2007-08-16 WO claimed