SCHEMBL19505697

SCHEMBL19505697

N[S+]([O-])c1ncc(C2(O)CCCC2)s1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 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
SCHEMBL20877367 0.73 NOS1 (0.36) SMN1; SMN2
SCHEMBL3200515 0.70 SMN1; SMN2 (0.39) SMN1; SMN2
SCHEMBL2979310 0.70 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL22705132 0.69 SMN1; SMN2 (0.34) SMN1; SMN2
SCHEMBL19475427 0.68 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL19505689 0.67 SMN1; SMN2 (0.35) SMN1; SMN2
SCHEMBL24784411 0.62 HCAR2 (0.39) SMN1; SMN2
SCHEMBL20692397 0.61 PSEN1 (0.30)
SCHEMBL20698940 0.61 PSEN1 (0.30)
SCHEMBL3385702 0.60 GAA (0.40) SMN1; SMN2

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-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed