SCHEMBL8986316

SCHEMBL8986316

O=[N+]([O-])c1c(S(=O)(=O)c2ccccc2)ccc2ncccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 10/20 0.62
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MET P08581 2/20 0.50
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KIF18A Q8NI77 1/20 0.44

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
SCHEMBL9050803 0.91 NPY1R (0.52) NPY1RKMT2AMEN1METNCOA1
SCHEMBL9050312 0.90 NPY1R (0.51) NPY1RMETNCOA1NCOA3POLB
SCHEMBL9051710 0.86 NPY1R (0.66) NPY1RKMT2AMEN1NCOA1NCOA3
SCHEMBL9051463 0.85 NPY1R (0.68) NPY1RRAB9AMETALDH1A1LMNA
SCHEMBL10904937 0.83 NPY1R (0.55) NPY1RKMT2AMEN1RAB9AMET
SCHEMBL9050400 0.83 NPY1R (0.65) NPY1RKMT2AMEN1METNCOA1
SCHEMBL9050676 0.83 NPY1R (0.65) NPY1RKMT2AMEN1METNCOA1
SCHEMBL9050776 0.83 NPY1R (0.47) NPY1RKMT2AMEN1METNCOA1
SCHEMBL9050428 0.82 NPY1R (0.56) NPY1RKMT2AMEN1METNCOA1
SCHEMBL9052048 0.81 NPY1R (0.50) NPY1RKMT2AMEN1METNCOA1

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
US-5552411-A HYPOTENSIVE, ANTIOBESITY WARNER-LAMBERT COMPANY (US) 1996-09-03 — — US disclosed
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