SCHEMBL29668663

SCHEMBL29668663

COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cc(C)c(Br)cc2F)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OXTR P30559 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL20238646 1.00 POLB (0.38) POLBSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL20252644 0.94 SMN1; SMN2 (0.33) POLBSMN1; SMN2TSHRALOX15ALDH1A1
SCHEMBL15464432 0.92 POLB (0.39) POLBSMN1; SMN2MEN1KMT2ATSHR
SCHEMBL15463758 0.91 POLB (0.39) POLBMEN1KMT2ATSHRCYP1A2
SCHEMBL29669041 0.90 POLB (0.37) POLBMEN1KMT2ATSHRCYP1A2
SCHEMBL20238577 0.90 POLB (0.37) POLBMEN1KMT2ATSHRCYP1A2
SCHEMBL14934588 0.89 POLB (0.41) POLBMEN1KMT2ATSHRCYP1A2
SCHEMBL29481979 0.89 POLB (0.41) POLBMEN1KMT2ATSHRCYP1A2
SCHEMBL20095731 0.89 POLB (0.37) POLBMEN1KMT2ATSHRCYP1A2
SCHEMBL19613950 0.86 OXTR (0.37) SMN1; SMN2MEN1KMT2ATSHRHDAC8

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-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed