SCHEMBL7836596

SCHEMBL7836596

CCN(CC)S(=O)(=O)c1ccc2c(c1)C(N)[C@H](O)C(C)(C)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.56
KCNE1 P15382 10/20 0.44
KCNQ1 P51787 10/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCND3 Q9UK17 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL7836593 1.00 ABCC9 (0.56) ABCC9KCNE1KCNQ1SMN1; SMN2KDM4E
SCHEMBL9200412 0.86 KCNE1 (0.45) ABCC9KCNE1KCNQ1ALDH1A1MEN1
SCHEMBL9200392 0.86 KCNE1 (0.45) ABCC9KCNE1KCNQ1ALDH1A1MEN1
SCHEMBL9200400 0.86 KCNE1 (0.45) ABCC9KCNE1KCNQ1ALDH1A1MEN1
SCHEMBL9200746 0.82 KCNE1 (0.45) ABCC9KCNE1KCNQ1MEN1KMT2A
SCHEMBL9200759 0.82 KCNE1 (0.45) ABCC9KCNE1KCNQ1MEN1KMT2A
SCHEMBL9200749 0.82 KCNE1 (0.45) ABCC9KCNE1KCNQ1MEN1KMT2A
SCHEMBL8003991 0.81 KCNE1 (0.41) ABCC9KCNE1KCNQ1MEN1KMT2A
SCHEMBL7846865 0.79 ABCC9 (0.49) ABCC9SMN1; SMN2KDM4EMAPTHTT
SCHEMBL9205841 0.78 ABCC9 (0.54) ABCC9KCNE1KCNQ1

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
EP-0747374-B1 Sulfonamido substituted benzopyran potassium channel activators BRISTOL MYERS SQUIBB CO (US) 2001-12-12 EP disclosed
US-5869478-A ADMINISTERING AS ANTIISCHEMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed