SCHEMBL28288024

SCHEMBL28288024

N#Cc1cc(Oc2cccc3ccccc23)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
RCE1 Q9Y256 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
AR P10275 7/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PGGT1B P53609 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
F10 P00742 1/20 0.40
TLR4 O00206 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL9502758 0.87 ALDH1A1 (0.48) GAASIRT2SIRT1SIRT3AR
SCHEMBL28288026 0.80 GAA (0.53) GAARCE1SIRT2SIRT1SIRT3
SCHEMBL4175939 0.80 AR (0.66) GAASIRT2SIRT1SIRT3AR
SCHEMBL28286633 0.78 GAA (0.50) GAARCE1SIRT2SIRT1SIRT3
SCHEMBL5073657 0.78 NR4A1 (0.54) GAAARMAPTALDH1A1
SCHEMBL16792664 0.77 AR (0.43) GAARCE1ARPOLBALDH1A1
SCHEMBL4184859 0.77 AR (0.68) AR
SCHEMBL1335043 0.77 ALDH1A1 (0.49) GAAARPOLBLMNAMAPT
SCHEMBL1334294 0.77 ALDH1A1 (0.49) GAAARPOLBLMNAMAPT
SCHEMBL11481973 0.76 NR4A1 (0.52) GAAARPOLBMAPTALDH1A1

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
CN-109651208-B N-aryl sulfonamide compound, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-01-04 CN disclosed
CN-109651208-A N- arylsulfonamides compound, medical composition and its use 中国科学院上海药物研究所 2019-04-19 CN disclosed