SCHEMBL8076776

SCHEMBL8076776

CS(=O)(=O)Oc1cccc2c1C(=[N+]=[N-])c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ USP2 O75604 2/20 0.31
▸ PLIN1 O60240 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PLIN5 Q00G26 1/20 0.31
▸ ABHD5 Q8WTS1 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PTGS2 P35354 1/20 0.31

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
SCHEMBL8065777 0.71 PGAM1 (0.38) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL8076780 0.71 SMN1; SMN2 (0.37) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL8076772 0.71 SMN1; SMN2 (0.37) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL10446577 0.71 TTR (0.51) MAPTLMNASMN1; SMN2HSP90AA1HTT
SCHEMBL3839152 0.70 NFE2L2 (0.42) SMN1; SMN2KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL30528698 0.70 MAPT (0.62) MAPTLMNASMN1; SMN2HTTHIF1A
SCHEMBL29050080 0.70 MAPT (0.62) MAPTLMNASMN1; SMN2HTTHIF1A
SCHEMBL24194431 0.68 TOP1 (0.64) MAPTLMNAHTTHIF1AMEN1
SCHEMBL550665 0.68 TDP1 (0.39) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL27635813 0.67 PTGS2 (0.52) MAPTLMNAHTTALDH1A1KDM4E

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
US-6033826-A POLYHYDROXYSTYRENE DERIVATIVE CONTAINING AN ACETAL OR KETAL GROUP WHICH CAN EASILY BE ELIMINATED IN THE PRESENCE OF AN ACID IN THE MOLECULE AND HAVING A VERY NARROW MOLECULAR WEIGHT DISTRIBUTION GIVES A RESIST MATERIAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-07 — — US disclosed
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