SCHEMBL4378653

SCHEMBL4378653

Cc1cccc(-c2ccoc2)c1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 3/20 0.35
RIPK1 Q13546 1/20 0.35
IMPDH2 P12268 2/20 0.35
ELANE P08246 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33

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
SCHEMBL7053927 0.78 CA12 (0.43) ALDH1A1GAAHTT
SCHEMBL7724503 0.77 CA12 (0.42) ALDH1A1GAAHTT
SCHEMBL15517832 0.75 ALDH1A1 (0.46) IMPDH2ELANEALDH1A1GAAPKM
SCHEMBL28051267 0.74 IMPDH2 (0.47) NAT1IMPDH2ALDH1A1GAAPKM
SCHEMBL21794144 0.73 ERN1 (0.40) NAT1RIPK1IMPDH2PELI1PTGES2
SCHEMBL183903 0.73 ALDH1A1 (0.43) ALDH1A1GAA
SCHEMBL7624639 0.72 HDAC4 (0.46) ALDH1A1HTT
SCHEMBL27891278 0.72 CA12 (0.38) ALDH1A1
SCHEMBL11076120 0.71 ALDH1A1 (0.42) ALDH1A1GAA
Hydrochloric Acid SCHEMBL8629651 0.71 ALDH1A1 (0.42) ALDH1A1GAA

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-2081919-A1 TETRAHYDROFURO [3, 2-B]PYRR0L-3-0NE INTERMEDIATES Amura Therapeutics Limited (GB) 2009-07-29 EP disclosed
WO-2008007132-A1 TETRAHYDROFURO [3, 2-B] PYRR0L-3-0NE INTERMEDIATES AMURA THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed