SCHEMBL9052043

SCHEMBL9052043

O=[N+]([O-])c1c(S(=O)(=O)c2ccccc2C(F)(F)F)ccc2ncccc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 10/20 0.47
▸ HTR6 P50406 1/20 0.47
▸ MET P08581 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SLC40A1 Q9NP59 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38

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 0.84 NPY1R (0.65) NPY1RHTR6METTSHRMEN1
SCHEMBL9050776 0.82 NPY1R (0.47) NPY1RHTR6METTSHRMEN1
SCHEMBL9050676 0.82 NPY1R (0.65) NPY1RMETTSHRMEN1TP53
SCHEMBL8986316 0.80 NPY1R (0.62) NPY1RMETTSHRMEN1KMT2A
SCHEMBL8986379 0.80 NPY1R (0.75) NPY1RHTR6METTSHRMEN1
SCHEMBL8856476 0.80 POLB (0.50) TSHRMEN1CYP3A4MAPTKMT2A
SCHEMBL9051632 0.79 NPY1R (0.47) NPY1RHTR6METTSHRMEN1
SCHEMBL9050312 0.78 NPY1R (0.51) NPY1RHTR6METTSHRNCOA1
SCHEMBL9052377 0.78 NPY1R (0.54) NPY1RMETTSHRMEN1TP53
SCHEMBL9050803 0.77 NPY1R (0.52) NPY1RMETTSHRMEN1KMT2A

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 disclosed
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