SCHEMBL28511981

SCHEMBL28511981

Cc1ccc(S(=O)(=O)c2c(N)cccc2N)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ GAA P10253 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.38

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
SCHEMBL28511192 0.86 KMT2A (0.51) RAPGEF4ALDH1A1MAPTHPGDPOLB
SCHEMBL28502157 0.80 GAA (0.52) ALDH1A1MAPTPOLBL3MBTL1KDM4E
SCHEMBL2236507 0.79 ALDH1A1 (0.50) RAPGEF4ALDH1A1MAPTHPGDPOLB
SCHEMBL28504347 0.75 KMT2A (0.54) ALDH1A1MAPTPOLBKMT2AL3MBTL1
SCHEMBL28504346 0.75 KMT2A (0.47) ALDH1A1MAPTHPGDKMT2AL3MBTL1
SCHEMBL11193800 0.74 ALDH1A1 (0.51) RAPGEF4ALDH1A1MAPTHPGDPOLB
SCHEMBL9683136 0.74 KMT2A (0.49) RAPGEF4ALDH1A1MAPTHPGDPOLB
SCHEMBL11590652 0.74 HTR6 (0.52) RAPGEF4ALDH1A1MAPTPOLBKMT2A
SCHEMBL28506091 0.74 CD44 (0.48) RAPGEF4ALDH1A1HPGDPOLBKMT2A
SCHEMBL2487383 0.73 ALDH1A1 (0.54) RAPGEF4ALDH1A1MAPTHPGDPOLB

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-109096156-B Disulfonyl meta-aryl diamine urease inhibitor and preparation method and application thereof 吉首大学 2021-01-15 — — CN disclosed
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