SCHEMBL28888968

SCHEMBL28888968

COc1ccnc(S(=O)(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ S1PR4 O95977 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ S1PR1 P21453 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ JAK2 O60674 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TXNRD1 Q16881 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ CCR4 P51679 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL28888991 0.77 LMNA (0.44) MAPK1HTTS1PR4MAPTS1PR1
SCHEMBL7270618 0.75 SMN1; SMN2 (0.60) S1PR1NPSR1ALDH1A1TXNRD1KDM4E
SCHEMBL27455546 0.74 LMNA (0.44) S1PR1TXNRD1SMN1; SMN2LMNA
Water SCHEMBL27347655 0.72 LMNA (0.43) S1PR1TXNRD1SMN1; SMN2LMNA
SCHEMBL29242561 0.72 LMNA (0.43) S1PR1TXNRD1SMN1; SMN2LMNA
SCHEMBL2130866 0.69 MEN1 (0.51) MAPTCYP3A4L3MBTL1SMN1; SMN2MEN1
SCHEMBL5365940 0.69 LMNA (0.40) MAPK1HTTS1PR4MAPTS1PR1
SCHEMBL18497236 0.69 S1PR4 (1.00) MAPK1HTTS1PR4MAPTS1PR1
SCHEMBL61299 0.68 — —
SCHEMBL8686519 0.68 LMNA (0.55) HTTMAPTHSP90AA1ALDH1A1CYP3A4

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-115215806-A Method for synthesizing sulfanilamide-6-methoxypyrimidine 江苏天和制药有限公司 2022-10-21 — — CN disclosed
Send feedback