SCHEMBL29023906

SCHEMBL29023906

O=[N+]([O-])c1cc(F)cnc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
SLC40A1 Q9NP59 2/20 0.45
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR4 P51679 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL29967593 1.00 ALDH1A1 (0.50) ALDH1A1MAPTFFAR4SLC40A1CRHBP
SCHEMBL29967606 0.84 ALDH1A1 (0.50) ALDH1A1MAPTFFAR4CRHBPCRHR2
SCHEMBL29023891 0.84 ALDH1A1 (0.56) ALDH1A1MAPTFFAR4SLC40A1CRHBP
SCHEMBL29023899 0.84 POLB (0.51) ALDH1A1MAPTFFAR4SLC40A1CRHBP
SCHEMBL29967774 0.84 POLB (0.51) ALDH1A1MAPTFFAR4SLC40A1CRHBP
SCHEMBL29023894 0.84 ALDH1A1 (0.50) ALDH1A1MAPTFFAR4CRHBPCRHR2
SCHEMBL29967867 0.84 ALDH1A1 (0.56) ALDH1A1MAPTFFAR4SLC40A1CRHBP
SCHEMBL29023889 0.84 KMT2A (0.54) ALDH1A1MAPTFFAR4SLC40A1KDM4E
SCHEMBL29967706 0.84 KMT2A (0.54) ALDH1A1MAPTFFAR4SLC40A1KDM4E
SCHEMBL29967856 0.81 ALDH1A1 (0.50) ALDH1A1MAPTFFAR4SLC40A1CRHBP

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
CN-115124459-A Method for selectively nitrating N- (2-pyridyl) benzene sulfonamide compound 宁波大学 2022-09-30 CN disclosed