SCHEMBL9050776

SCHEMBL9050776

O=[N+]([O-])c1c(S(=O)(=O)c2cccc3ccccc23)ccc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 8/20 0.47
▸ MET P08581 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTR6 P50406 4/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL9050400 0.85 NPY1R (0.65) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL9050676 0.85 NPY1R (0.65) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL8986316 0.83 NPY1R (0.62) NPY1RMETTSHRMEN1KMT2A
SCHEMBL9052377 0.83 NPY1R (0.54) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL9052043 0.82 NPY1R (0.47) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL9051632 0.82 NPY1R (0.47) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL9052048 0.80 NPY1R (0.50) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL9050812 0.80 NPY1R (0.50) NPY1RMETCYP3A4TSHRMEN1
SCHEMBL9050803 0.80 NPY1R (0.52) NPY1RMETTSHRMEN1KMT2A
SCHEMBL8986400 0.79 NPY1R (0.76) NPY1RMETCYP3A4TSHRMEN1

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-1996037474-A1 SULFONYLQUINOLINES AS NEUROPEPTIDE Y1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-11-28 — — WO claimed
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