SCHEMBL31028752

SCHEMBL31028752

NS(=O)(=O)c1cccnc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA9 Q16790 4/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.46
FTO Q9C0B1 1/20 0.42
CA12 O43570 3/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 2/20 0.42
NPY1R P25929 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 1/20 0.41
CA3 P07451 1/20 0.40

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
SCHEMBL8562081 1.00 CA1 (0.50) CA1CA2CA9MAPK1MAPT
SCHEMBL27463580 0.87 ALDH1A1 (0.45) CA1CA2CA9MAPK1MAPT
SCHEMBL8564974 0.82 ALDH1A1 (0.44) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL5700032 0.82 PAX8 (0.42) NPY1RMEN1KMT2ARAB9AMET
SCHEMBL8565961 0.77 CA2 (0.39) CA1CA2CA9MAPK1MAPT
SCHEMBL8597763 0.74 ALDH1A1 (0.57) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL8563296 0.74 ALDH1A1 (0.51) MAPK1MAPTCYP2C9LMNAMEN1
SCHEMBL27444563 0.73 KMT2A (0.48) MAPTFTOMEN1KMT2AHTT
SCHEMBL601835 0.73 HTT (0.50) MAPTCYP2C9LMNAMEN1KMT2A
SCHEMBL30954607 0.73 MAPT (0.50) MAPTLMNAMEN1KMT2ARAB9A

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-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO disclosed