SCHEMBL4775445

SCHEMBL4775445

Cc1ccc(S(=O)(=O)C2(N)CCCCC2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 6/20 0.47
POLB P06746 3/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ACHE P22303 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL2949828 0.84 GAA (0.51) KMT2AALDH1A1ACHEMAPTGAA
SCHEMBL4775447 0.77 HTR2A (0.38) SMN1; SMN2KMT2AALDH1A1GAAPKM
SCHEMBL6386533 0.75 KMT2A (0.67) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL17806034 0.75 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL15012237 0.72 SMN1; SMN2 (0.49) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL16877047 0.72 TRPA1 (0.41) SMN1; SMN2KMT2A
SCHEMBL7541872 0.71 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL6849402 0.71 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL11456155 0.71 POLB (0.42) SMN1; SMN2KMT2AALDH1A1POLBTP53
SCHEMBL28053508 0.70 CA1 (0.32) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083943-A Glucopyranosyl derivative and preparation method and application thereof 广东东阳光药业有限公司 2016-11-09 CN claimed
CN-106083943-A Glucopyranosyl derivative and preparation method and application thereof 广东东阳光药业有限公司 2016-11-09 CN disclosed
WO-2016173425-A1 A GLUCOPYRANOSYL DERIVATIVE AND PREPARATION METHOD AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-03 WO disclosed
WO-2008003774-A1 METHOD FOR PRODUCING ENANTIOPURE FLAVANONES Technische Universität Dresden (DE) 2008-01-10 WO disclosed
US-3936471-A HYPOGLYCEMIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-03 US disclosed