SCHEMBL29023904

SCHEMBL29023904

COc1ccc([N+](=O)[O-])c(NS(=O)(=O)c2ccccc2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
S1PR4 O95977 2/20 0.64
S1PR1 P21453 2/20 0.64
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
RAB9A P51151 1/20 0.64
GFER P55789 1/20 0.64
PAX8 Q06710 1/20 0.64
TXNRD1 Q16881 12/20 0.54
ALDH1A1 P00352 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
JAK2 O60674 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
CCR4 P51679 1/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL29023893 0.82 ALDH1A1 (0.57) MAPTMAPK1NPSR1PAX8ALDH1A1
SCHEMBL29023887 0.80 ALDH1A1 (0.50) MAPTS1PR4S1PR1MAPK1NPSR1
SCHEMBL29023888 0.80 CRHBP (0.56) MAPTMAPK1NPSR1TXNRD1ALDH1A1
SCHEMBL10815147 0.80 GSK3B (0.55) MAPTS1PR4S1PR1MAPK1NPSR1
SCHEMBL18497223 0.78 S1PR4 (1.00) MAPTS1PR4S1PR1MAPK1NPSR1
SCHEMBL2306805 0.77 TXNRD1 (0.54) MAPTS1PR4S1PR1MAPK1NPSR1
SCHEMBL29023897 0.76 ALDH1A1 (0.50) MAPTALDH1A1CRHBPCRHR2CCR4
SCHEMBL29967856 0.76 ALDH1A1 (0.50) MAPTALDH1A1CRHBPCRHR2CCR4
SCHEMBL3887497 0.75 S1PR4 (0.63) MAPTS1PR4S1PR1MAPK1NPSR1
SCHEMBL29967708 0.75 MEN1 (0.61) MAPTRAB9AALDH1A1CRHBPCRHR2

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