SCHEMBL10399096

SCHEMBL10399096

CC(CC(=N)NO)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.52
▸ UGT2B7 P16662 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ ATM Q13315 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
SCHEMBL10399118 0.81 AOC3 (0.52) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL10400048 0.76 UGT2B7 (0.55) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL2203728 0.76 FFAR1 (0.57) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL17451237 0.75 UGT2B7 (0.50) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL6678170 0.74 ABCB11 (0.66) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL6678168 0.74 UGT2B7 (0.57) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL27989030 0.74 TNF (0.56) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL27980860 0.74 TNF (0.56) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL6172465 0.74 TNF (0.56) MMP9UGT2B7MEN1KMT2ACYP2D6
SCHEMBL7677411 0.73 UGT2B7 (0.51) MMP9UGT2B7MEN1KMT2ACYP2D6

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-0393940-A1 Substituted and unsubstituted naphthalenyl-3H-1,2,3,5-oxthiadiazole 2-oxides AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-24 — — EP disclosed
US-4895861-A Novel naphthalenyl-3H-1,2,3,5-oxathiadiazole 2-oxides useful as antihyperglycemic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 — — US disclosed
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