SCHEMBL30854819

SCHEMBL30854819

COc1cc(NS(=O)(=O)c2cccc3cccnc23)c2ncccc2c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.77
CXCR4 P61073 1/20 0.77
SLC40A1 Q9NP59 9/20 0.72
MEN1 O00255 6/20 0.72
KMT2A Q03164 6/20 0.72
TDP1 Q9NUW8 5/20 0.72
TP53 P04637 2/20 0.69
POLB P06746 2/20 0.69
TSHR P16473 2/20 0.69
LMNA P02545 1/20 0.69
MAPT P10636 1/20 0.69
HPGD P15428 1/20 0.69
AGTR1 P30556 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
NFKBIA P25963 2/20 0.69
RELA Q04206 2/20 0.69
HTT P42858 1/20 0.68
ALDH1A1 P00352 1/20 0.67

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
SCHEMBL29255671 1.00 CXCR2 (0.77) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL13633861 0.88 SLC40A1 (0.73) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL11973706 0.87 SLC40A1 (0.78) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL4470146 0.85 MEN1 (0.71) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL7197593 0.84 SLC40A1 (1.00) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL13633886 0.84 MEN1 (1.00) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL11973085 0.83 NFKBIA (0.80) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL4484159 0.83 SLC40A1 (0.71) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL29800829 0.83 GLO1 (0.78) CXCR2CXCR4SLC40A1MEN1KMT2A
SCHEMBL26964245 0.83 GLO1 (0.78) CXCR2CXCR4SLC40A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865886-B N- (quinoline-8-yl) quinoline-8-sulfonamide compound and application thereof 中国药科大学 2024-05-10 CN disclosed
CN-117865886-A N- (quinoline-8-yl) quinoline-8-sulfonamide compound and application thereof 中国药科大学 2024-04-12 CN disclosed