SCHEMBL4727310

SCHEMBL4727310

C[N+](C)(CCCOc1ccc(S(N)(=O)=O)cc1)Cc1nnc(C(O)(c2ccccc2)C2CCCCC2)o1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 3/20 0.44
KCNH2 Q12809 5/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA7 P43166 2/20 0.35
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 4/20 0.35
CA4 P22748 1/20 0.35
NPY2R P49146 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL4727311 0.90 KCNH2 (0.39) MEN1KMT2AKCNH2CHRM2CHRM1
Bromide SCHEMBL4779649 0.89 KCNH2 (0.38) MEN1KMT2AKCNH2CHRM2CHRM1
SCHEMBL14291317 0.89 KCNH2 (0.39) MEN1KMT2AKCNH2HRH3CHRM2
SCHEMBL13329547 0.87 MEN1 (0.44) MEN1KMT2AKCNH2CA12CA1
Bromide SCHEMBL2871286 0.86 MEN1 (0.43) MEN1KMT2AKCNH2CA12CA1
Bromide SCHEMBL2871288 0.86 MEN1 (0.43) MEN1KMT2AKCNH2CA12CA1
SCHEMBL4727438 0.84 CHRNA7 (0.38) MEN1KMT2AKCNH2NPY2RCHRM2
SCHEMBL4778055 0.81 CHRM2 (0.37) MEN1KMT2AKCNH2CHRM2CHRM1
SCHEMBL4782438 0.80 MEN1 (0.38) MEN1KMT2ANPY2R
SCHEMBL4726502 0.79 ALDH1A1 (0.42) MEN1KMT2AKCNH2TSHRCHRM2

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
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed